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Journal articles on the topic 'Benzene carboxylate'

Author: Grafiati

Published: 4 June 2025

Last updated: 1 August 2025

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1

Aşkın, Gülçin Şefiye, Fatih Çelik, Nefise Dilek, Hacali Necefoğlu та Tuncer Hökelek. "Crystal structure ofcatena-poly[[aquabis(4-formylbenzoato)-κ2O1,O1′;κO1-zinc]-μ-pyrazine-κ2N:N′]". Acta Crystallographica Section E Crystallographic Communications 71, № 4 (2015): 402–5. http://dx.doi.org/10.1107/s2056989015005472.

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The asymmetric unit of the title polymeric compound, [Zn(C8H5O3)2(C4H4N2)(H2O)]n, contains two molecular units. Each unit comprises two 4-formylbenzoate (FB) anions, one pyrazine molecule and one coordinating water molecule; the FB anions act either as bidentate or as monodentate ligands. The O atoms of the bidentately coordinating FB anions are disordered over two positions, and they were refined with fixed occupancy ratios of 0.75:0.25 and 0.70:0.30, respectively. In the ordered monodentately coordinating FB anions, the carboxylate groups are twisted away from the attached benzene rings (Ban

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2

Fazal, E., Manpreet Kaur, B. S. Sudha, S. Nagarajan, and Jerry P. Jasinski. "4-Chlorophenyl quinoline-2-carboxylate." Acta Crystallographica Section E Structure Reports Online 69, no. 12 (2013): o1841. http://dx.doi.org/10.1107/s1600536813032054.

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In the title compound, C16H10ClNO2, the dihedral angle between the quinoline ring system and the benzene ring is 14.7 (5)°. The carboxylate group is twisted from the mean planes of the quinoline ring system and the benzene ring by 17.7 (5) and 32.1 (4)°, respectively. In the crystal, inversion dimers are formed with the molecules linked by pairs of weak C—H...O interactions arising from an activated aromatic C atom adjacent to the C—Cl bond, generatingR22(14) loops.

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3

Wardell, James L., and Edward R. T. Tiekink. "Crystal structures of the 1:1 salts of 2-amino-4-nitrobenzoate with each of (2-hydroxyethyl)dimethylazanium, tert-butyl(2-hydroxyethyl)azanium and 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium." Acta Crystallographica Section E Crystallographic Communications 74, no. 12 (2018): 1735–40. http://dx.doi.org/10.1107/s2056989018015578.

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The crystal and molecular structures of the title molecular salts, C4H12NO+·C7H5N2O4 −, (I), C6H16NO+·C7H5N2O4 −, (II), and C4H12NO3 +·C7H5N2O4 −, (III), are described. The common feature of these salts is the presence of the 2-amino-4-nitrobenzoate anion, which exhibit non-chemically significant variations in the conformational relationships between the carboxylate and nitro groups, and between these and the benzene rings they are connected to. The number of ammonium-N—H H atoms in the cations increases from one to three in (I) to (III), respectively, and this variation significantly influenc

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4

Zhou, Li-Juan, Chang-Bao Han, and Yu-Ling Wang. "Two-dimensional ZnIIand one-dimensional CoIIcoordination polymers based on benzene-1,4-dicarboxylate and pyridine ligands." Acta Crystallographica Section C Structural Chemistry 72, no. 2 (2016): 133–38. http://dx.doi.org/10.1107/s2053229616000814.

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Coordination polymers constructed from metal ions and organic ligands have attracted considerable attention owing to their diverse structural topologies and potential applications. Ligands containing carboxylate groups are among the most extensively studied because of their versatile coordination modes. Reactions of benzene-1,4-dicarboxylic acid (H2BDC) and pyridine (py) with ZnIIor CoIIyielded two new coordination polymers, namely, poly[(μ4-benzene-1,4-dicarboxylato-κ4O:O′:O′′:O′′′)(pyridine-κN)zinc(II)], [Zn(C8H4O2)(C5H5N)]n, (I), andcatena-poly[aqua(μ3-benzene-1,4-dicarboxylato-κ3O:O′:O′′)b

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5

Lundvall, Fredrik, Pascal D. C. Dietzel, and Helmer Fjellvåg. "Crystal structure of dimethyl 4,4′-dimethoxybiphenyl-3,3′-dicarboxylate." Acta Crystallographica Section E Crystallographic Communications 72, no. 3 (2016): 328–30. http://dx.doi.org/10.1107/s2056989016002449.

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In the title compound, C18H18O6, the benzene rings are coplanar due to the centrosymmetric nature of the molecule, with an inversion centre located at the midpoint of the C—C bond between the two rings. Consequently, the methyl carboxylate substituents are oriented in atransfashion with regards to the bond between the benzene rings. The methyl carboxylate and methoxy substituents are rotated slightly out of plane relative to their parent benzene rings, with dihedral and torsion angles of 18.52 (8) and −5.22 (15)°, respectively. The shortest O...H contact between neighbouring molecules is about

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6

Smith, Graham, and Urs D. Wermuth. "Bis(benzylaminium) 4,5-dichlorobenzene-1,2-dicarboxylate monohydrate." Acta Crystallographica Section E Structure Reports Online 68, no. 6 (2012): o1928. http://dx.doi.org/10.1107/s1600536812023458.

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In the structure of the title salt, 2C7H10N+·C8H2Cl2O4 2−·H2O, the two benzylaminium anions have different conformations, one being essentially planar and the other having the side chain rotated out of the benzene plane [minimum ring to side-chain C—C—C—N torsion angles = −3.6 (6) and 50.1 (5)°, respectively]. In the 4,5-dichlorophthalate dianion, the carboxylate groups make dihedral angles of 23.0 (2) and 76.5 (2)° with the benzene ring. In the crystal, aminium N—H...O and water O—H...O hydrogen-bonding associations with carboxylate O-atom acceptors give a two-dimensional duplex sheet structu

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7

Zhong, Kai-Long. "A novel three-dimensional ZnIIcoordination polymer with 1,3,5-tris(imidazol-1-ylmethyl)benzene and cyclohexane-1,3,5-tricarboxylate ligands." Acta Crystallographica Section C Structural Chemistry 70, no. 2 (2014): 189–93. http://dx.doi.org/10.1107/s2053229613034347.

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In the ZnIIcompound poly[[bis(μ3-cyclohexane-1,3,5-tricarboxylato)bis[μ3-1,3,5-tris(imidazol-1-ylmethyl)benzene]trizinc(II)] hexahydrate], {[Zn3(C18H18N6)2(C9H9O6)2]·6H2O}n, based on mixed 1,3,5-tris(imidazol-1-ylmethyl)benzene and cyclohexane-1,3,5-tricarboxylate ligands, there are two types of crystallographically independent ZnIIcentres, one in a general position and one on a crystallographic twofold axis. They have similar fourfold distorted tetrahedral coordination geometries, ligated by two monodentate carboxylate groups from two cyclohexane-1,3,5-tricarboxylate ligands and by two N atom

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8

Öncüoğlu, Serkan, Nefise Dilek, Nagihan Çaylak Delibaş, Yavuz Ergün, and Tuncer Hökelek. "Ethyl 4,9-dimethyl-9H-carbazole-3-carboxylate." Acta Crystallographica Section E Structure Reports Online 70, no. 3 (2014): o240. http://dx.doi.org/10.1107/s1600536814002098.

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In the title compound, C17H17NO2, the carbazole skeleton includes an ethoxycarbonyl group at the 3-position. The indole three-ring system is almost planar [maximum deviation = 0.065 (2) Å], and the ethyl ester group is inclined to its mean plane by 15.48 (2)°. In the crystal, there are π–π stacking interactions between parallel benzene rings and between parallel benzene and pyrrole rings of adjacent molecules [centroid–centroid distances = 3.9473 (8) and 3.7758 (8) Å, respectively]. Weak C—H...π interactions are also present.

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9

Yin, Dejing. "Synthesis and crystal structure of tert-butyl 1-(2-iodobenzoyl)cyclopent-3-ene-1-carboxylate." Acta Crystallographica Section E Crystallographic Communications 75, no. 9 (2019): 1383–85. http://dx.doi.org/10.1107/s2056989019011514.

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1-(2-Iodobenzoyl)-cyclopent-3-ene-1-carboxylates are novel substrates to construct bicyclo[3.2.1]octanes with antibacterial and antithrombotic activities. In this context, tert-butyl 1-(2-iodobenzoyl)-cyclopent-3-ene-1-carboxylate, C17H19IO3, was synthesized and structurally characterized. The 2-iodobenzoyl group is attached to the tertiary C atom of the cyclopent-3-ene ring. The dihedral angle between the benzene ring and the mean plane of the envelope-type cyclopent-3-ene ring is 26.0 (3)°. In the crystal, pairs of C-H...O hydrogen bonds link the molecules to form inversion dimers.

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10

Fun, Hoong-Kun, Safra Izuani Jama Asik, B. Garudachari, Arun M. Isloor, and M. N. Satyanarayan. "2-(4-Bromophenyl)-2-oxoethyl anthracene-9-carboxylate." Acta Crystallographica Section E Structure Reports Online 68, no. 6 (2012): o1876. http://dx.doi.org/10.1107/s1600536812022684.

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In the title compound, C23H15BrO3, the anthracene ring system is essentially planar [maximum deviation = 0.29 (2) Å] and makes a dihedral angle of 5.74 (8)° with the mean plane of the bromo-substituted benzene ring. An intramolecular C—H...O hydrogen bond generates an S(9) ring motif. In the crystal, molecules are linked by C—H...O interactions, forming a two-dimensional network parallel to the ac plane. π–π stacking interactions are observed between benzene rings [centroid–centroid distances = 3.5949 (14) and 3.5960 (13) Å].

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11

Rahman, Wannur Sofiasalamah Khairiah A., J. Ahmad, Siti Nadiah Abdul Halim, Mukesh M. Jotani та Edward R. T. Tiekink. "(μ2-Adipato-κ4O,O′:O′′,O′′′)bis[aqua(benzene-1,2-diamine-κ2N,N′)chloridocadmium]: crystal structure and Hirshfeld surface analysis". Acta Crystallographica Section E Crystallographic Communications 73, № 9 (2017): 1363–67. http://dx.doi.org/10.1107/s2056989017011677.

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The full molecule of the binuclear title compound, [Cd2Cl2(C6H8O4)(C6H8N2)2(H2O)2], is generated by the application of a centre of inversion located at the middle of the central CH2—CH2bond of the adipate dianion; the latter chelates a CdIIatom at each end. Along with two carboxylate-O atoms, the CdIIion is coordinated by the two N atoms of the chelating benzene-1,2-diamine ligand, a Cl−anion and an aqua ligand to define a distorted octahedral CdClN2O3coordination geometry with the monodentate ligands being mutuallycis. The disparity in the Cd—N bond lengths is related to the relativetranseffe

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12

Lundvall, Fredrik, David Stephen Wragg, Pascal D. C. Dietzel, and Helmer Fjellvåg. "Methyl 5-iodo-2-methoxybenzoate." Acta Crystallographica Section E Structure Reports Online 70, no. 4 (2014): o462. http://dx.doi.org/10.1107/s1600536814005868.

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In the title compound, C9H9IO3, the molecules are close to planar [maximum deviation from benzene ring plane = 0.229 (5) Å for the methyl carboxylate C atom] with the methyl groups oriented away from each other. In the crystal, molecules form stacked layers parallel to theabplane, where every layer has either the iodine or methoxy/methyl carboxylate substituents pointing towards each other in an alternating fashion.

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13

Yu, Cai-Xia, Feng-Ji Ma, Lei-Lei Liu, and Cong Liu. "A helical zinc(II) coordination polymer assembled from 1,3-bis[(pyridin-3-yl)methoxy]benzene and benzene-1,4-dicarboxylic acid." Acta Crystallographica Section C Structural Chemistry 70, no. 12 (2014): 1178–80. http://dx.doi.org/10.1107/s2053229614025546.

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Incatena-poly[[aqua[1,3-bis(pyridine-3-ylmethoxy)benzene-κN]zinc(II)]-μ2-benzene-1,4-dicarboxylato-κ2O1:O4], [Zn(C8H4O4)(C18H16N2O2)(H2O)]n, each ZnIIcentre is tetrahedrally coordinated by two O atoms of bridging carboxylate groups from two benzene-1,4-dicarboxylate anions (denotedL2−), one O atom from a water molecule and one N atom from a 1,3-bis[(pyridin-3-yl)methoxy]benzene ligand (denoted bpmb). (Aqua)O—H...N hydrogen-bonding interactions induce the formation of one-dimensional helical [Zn(L)(bpmb)(H2O)]nchains which are interlinked through (aqua)O—H...O hydrogen-bonding interactions, pro

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14

Powers, Kyle A., and David K. Geiger. "Hydrogen bonding in two benzene-1,2-diaminium pyridine-2-carboxylate salts and a cocrystal of benzene-1,2-diamine and benzoic acid." Acta Crystallographica Section C Structural Chemistry 75, no. 3 (2019): 329–35. http://dx.doi.org/10.1107/s2053229619002262.

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The isostructural salts benzene-1,2-diaminium bis(pyridine-2-carboxylate), 0.5C6H10N2 2+·C6H4NO2 −, (1), and 4,5-dimethylbenzene-1,2-diaminium bis(pyridine-2-carboxylate), 0.5C8H14N2 2+·C6H4NO2 −, (2), and the 1:2 benzene-1,2-diamine–benzoic acid cocrystal, 0.5C6H8N2·C7H6O2, (3), are reported. All of the compounds exhibit extensive N—H...O hydrogen bonding that results in interconnected rings. O—H...N hydrogen bonding is observed in (3). Additional π–π and C—H...π interactions are found in each compound. Hirshfeld and fingerprint plot analyses reveal the primary intermolecular interactions and

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15

Yan, Dan, та Qian Duan. "Poly[[(methanol)(μ4-2,4,5,6-tetrafluorobenzene-1,3-dicarboxylato)copper(II)] methanol monosolvate]". Acta Crystallographica Section E Structure Reports Online 68, № 6 (2012): m768—m769. http://dx.doi.org/10.1107/s1600536812020740.

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In the title compound, {[Cu(C8F4O4)(CH3OH)]·CH3OH} n , two CuII atoms are bridged by four carboxylate groups, forming the well known paddle-wheel secondary building unit (SBU) with axial methanol ligands. In each ligand, the dihedral angles between the benzene ring and the two carboxylate groups are 80.43 (17) and 62.5 (4)°. Within each SBU, the four carboxylate groups come from four symmetry-equivalent tetrafluoroisophthalate ligands. Each tetrafluoroisophthalate group connects two SBUs, forming a layered structure . In the crystal, O—H...O hydrogen bonds involving the free and ligated methan

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16

Aşkın, Gülçin Şefiye, Fatih Çelik, Nefise Dilek, Hacali Necefoğlu та Tuncer Hökelek. "Crystal structure ofcatena-poly[[diaquabis(4-formylbenzoato-κO1)cobalt(II)]-μ-pyrazine-κ2N:N′]". Acta Crystallographica Section E Crystallographic Communications 71, № 4 (2015): 339–41. http://dx.doi.org/10.1107/s205698901500403x.

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In the title polymeric compound, [Co(C8H5O3)2(C4H4N2)(H2O)2]n, the CoIIatom is located on a twofold rotation axis and has a slightly distorted octahedral coordination sphere. In the equatorial plane, it is coordinated by two carboxylate O atoms of two symmetry-related monodentate formylbenzoate anions and by two N atoms of two bridging pyrazine ligands. The latter are bisected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water molecules. In the formylbenzoate anion, the carboxylate group is twisted away from the attached benzene ring by 7.50

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17

Yoon, Yeong Keng, Elumalai Manogaran, Tan Soo Choon, Suhana Arshad, and Ibrahim Abdul Razak. "Ethyl 2-(4-chlorophenyl)-1-phenyl-1H-benzimidazole-5-carboxylate." Acta Crystallographica Section E Structure Reports Online 68, no. 6 (2012): o1863. http://dx.doi.org/10.1107/s1600536812022192.

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In the title compound, C22H17ClN2O2, the essentially planar benzimidazole ring system [maximum deviation = 0.012 (2) Å] forms dihedral angles of 28.69 (6) and 63.65 (7)°, respectively, with the phenyl and chloro-substituted benzene rings. The dihedral angle between the phenyl and benzene rings is 64.23 (8)°. In the crystal, molecules are linked into a zigzag chain along the a axis by intermolecular C—H...O hydrogen bonds. C—H...π interactions are also present.

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18

Sertçelik, Mustafa, Nagihan Çaylak Delibaş, Hacali Necefoğlu та Tuncer Hökelek. "Diaquabis(4-formylbenzoato-κO1)bis(nicotinamide-κN1)cobalt(II)". Acta Crystallographica Section E Structure Reports Online 68, № 8 (2012): m1091—m1092. http://dx.doi.org/10.1107/s1600536812032205.

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In the title complex, [Co(C8H5O3)2(C6H6N2O)2(H2O)2], the CoIIcation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the CoIIcation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 23.91 (9)°, while the pyridine and benzene rings are oriented

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19

Sertçelik, Mustafa, Nagihan Çaylak Delibaş, Hacali Necefoğlu та Tuncer Hökelek. "Diaquabis(4-formylbenzoato-κO1)bis(nicotinamide-κN1)zinc". Acta Crystallographica Section E Structure Reports Online 68, № 8 (2012): m1127—m1128. http://dx.doi.org/10.1107/s160053681203320x.

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In the title complex, [Zn(C8H5O3)2(C6H6N2O)2(H2O)2], the ZnIIcation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the ZnIIcation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 24.13 (8)°, while the pyridine ring and the benzene ring are o

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20

Ton, Cuong Quoc, and Michael Bolte. "Pyridinium-2-carboxylate–benzene-1,2-diol (1/1)." Acta Crystallographica Section E Structure Reports Online 65, no. 11 (2009): o2834. http://dx.doi.org/10.1107/s1600536809043207.

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21

Liu, Kun. "Poly[(μ4-benzene-1,3,5-tricarboxylato)bis(N,N-dimethylacetamide)terbium(III)]". Acta Crystallographica Section E Structure Reports Online 68, № 4 (2012): m415. http://dx.doi.org/10.1107/s1600536812010264.

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The title compound, [Tb(C9H3O6)(C4H9NO)2], shows a rare-earth three-dimensional metal-organic framework structure. In this complex of an eight-coordinated Tb3+ion, the asymmetric unit contains one benzene-1,3,5-tricarboxylic ligand and two coordinated dimethylacetamide molecules. Each Tb3+ion is coordinated by six O atoms from four carboxylate groups of the benzene-1,3,5-tricarboxylic ligands and two O atoms from two terminal dimethylacetamide molecules.

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22

Camara, Magatte, Modou Tine, Carole Daiguebonne, Olivier Guillou та Thierry Roisnel. "Poly[[octaaqua-μ4-(benzene-1,2,4,5-tetracarboxylato)-dicobalt(II)] octahydrate]". Acta Crystallographica Section E Structure Reports Online 69, № 12 (2013): m680—m681. http://dx.doi.org/10.1107/s1600536813031577.

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The title polymeric coordination compound, {[Co2(C10H2O8)(H2O)8]·8H2O}n, was obtained by slow diffusion of a dilute aqueous solution of CoCl2and the sodium salt of benzene-1,2,4,5-tetracarboxylic acid (H4btec) through an agar–agar gel bridge in a U-shaped tube. The two independent Co2+ions are each situated on an inversion centre and are coordinated in a slightly distorted octahedral geometry by four water O atoms and two carboxylate O atoms from two btec4−ligands (-1> symmetry), forming a layer parallel to (11-1). This layer can be described as a molecular two-dimensional square grid with

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23

Ejsmont, Krzysztof, and Jacek Zaleski. "Tetrakis(methylammonium) benzene-1,2,4,5-tetracarboxylate dihydrate." Acta Crystallographica Section E Structure Reports Online 62, no. 7 (2006): o2672—o2674. http://dx.doi.org/10.1107/s1600536806020496.

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In the title compound, 4CH6N+·C10H2O8 4−·2H2O, the complete C10H2O8 4− anion is generated by inversion; one of the unique carboxylate groups is almost coplanar with the benzene ring, perhaps as the result of intramolecular C—H...O interactions, and the other is almost perpendicular. A network of O—H...O and N—H...O hydrogen bonds helps to consolidate the crystal packing.

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24

Łuczyńska-Szymczak, Katarzyna, Wojciech Starosta та Janusz Leciejewicz. "Poly[bis(μ6-benzene-1,3,5-tricarboxylato-κ7 O 1,O 1′:O 1′:O 3:O 3′:O 5:O 5′)tetrakis(dimethylformamide-κO)trimagnesium(II)]". Acta Crystallographica Section E Structure Reports Online 68, № 6 (2012): m852—m853. http://dx.doi.org/10.1107/s1600536812023240.

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The asymmetric unit of the polymeric title compound, [Mg3(C9H3O6)2(C3H7NO)4] n , contains three MgII ions bridged by carboxylate O atoms from two fully deprotonated benzene-1,3,5-tricarboxylate (BTC) trianions and four metal-coordinated dimethylformamide (DMF) molecules. One MgII ion is octahedrally coordinated by six carboxylate O atoms. The other two cations are each octahedrally coordinated by four carboxylate O atoms and two O atoms donated by two DMF molecules: in one, the DMF molecules are cis and in the other they are trans. The three MgII octahedra form clusters, which are bridged by t

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25

Trzybiński, Damian, Michał Wera, Karol Krzymiński, and Jerzy Błażejowski. "2,6-Dimethylphenyl acridine-9-carboxylate." Acta Crystallographica Section E Structure Reports Online 69, no. 2 (2013): o166. http://dx.doi.org/10.1107/s160053681205129x.

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In the title compound, C22H17NO2, the acridine ring system and the benzene ring are oriented at a dihedral angle of 37.7 (1)°. The carboxyl group is twisted at an angle of 67.7 (1)° relative to the acridine skeleton. In the crystal, molecules are arranged in stacks along thebaxis, with all of the acridine rings involved in multiple π–π interactions [centroid–centroid distances in the range 3.632 (2)–4.101 (2) Å]. The acridine moieties are parallel within the stacks, but inclined at an angle of 52.7 (1)° in adjacent stacks.

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26

Li, Yaping, Dajun Sun, Julia Ming, Liying Han та Guanfang Su. "Crystal structure of poly[[{μ2-1,4-bis[(1H-imidazol-1-yl)methyl]benzene}[μ6-5-(4-carboxylatophenoxy)isophthalato]-μ3-hydroxido-dicobalt(II)] 0.25-hydrate]". Acta Crystallographica Section E Structure Reports Online 70, № 11 (2014): m376—m377. http://dx.doi.org/10.1107/s1600536814022806.

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The title coordination polymer, {[Co2(C15H7O7)(OH)(C14H14N4)]·0.25H2O}n, was synthesized under hydrothermal conditions. The asymmetric unit contains two Co2+ions, oneL3−anion originating from 5-(4-carboxyphenoxy)isophthalic acid (H3L), one OH−ligand, one 1,4-bis[(1H-imidazol-l-yl)methyl]benzene (bix) ligand and one disordered lattice water molecule (occupancy 0.25). The two Co2+ions have different environments. One has an octahedral O4N2coordination sphere, defined by four O atoms from three carboxylate groups and one OH−ligand, and two N atoms from two symmetry-related bix ligands. The other

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27

Vaish, Avichal, and Nicolay V. Tsarevsky. "Hypervalent iodine-based dynamic and self-healing network polymers." Polymer Chemistry 10, no. 29 (2019): 3943–50. http://dx.doi.org/10.1039/c9py00664h.

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Linear polymers with carboxylate pendant groups participate in ligand-exchange reactions with (diacetoxyiodo)benzene to afford dynamic and self-healing networks, which become set when exposed to UV light or heat due to irreversible radical coupling.

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28

Akduran, Nurcan, Hacali Necefoğlu, Ömer Aydoğdu та Tuncer Hökelek. "Crystal structure oftrans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)zinc(II)". Acta Crystallographica Section E Crystallographic Communications 72, № 10 (2016): 1374–76. http://dx.doi.org/10.1107/s2056989016013815.

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In the title complex, [Zn(C8H4NO2)2(C10H14N2O)2(H2O)2], the ZnIIcation, located on an inversion centre, is coordinated by two water molecules, two 4-cyanobenzoate (CB) anions and two diethylnicotinamide (DENA) ligands in a distorted N2O4octahedral geometry. In the molecule, the dihedral angle between the planar carboxylate group and the adjacent benzene ring is 9.50 (14)°, while the benzene and pyridine rings are oriented at a dihedral angle of 56.99 (5)°. The water molecules exhibit both an intramolecular hydrogen bond [to the non-coordinating carboxylate O atom, enclosing anS(6) hydrogen-bon

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29

Devarajegowda, H. C., P. A. Suchetan, S. Sreenivasa, H. T. Srinivasa, and B. S. Palakshamurthy. "Crystal structure of 4-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate." Acta Crystallographica Section E Crystallographic Communications 71, no. 6 (2015): o374—o375. http://dx.doi.org/10.1107/s2056989015006970.

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In the title compound, C17H12O5, the dihedral angle between the planes of the coumarin ring system (r.m.s. deviation = 0.015 Å) and the benzene ring is 48.04 (10)°. The central CO2group subtends a dihedral angle of 27.15 (11)° with the coumarin ring system and 74.86 (13)° with the benzene ring. In the crystal, molecules are linked by C—H...O interactions, which generate a three-dimensional network. Very weak C—H...π interactions are also observed.

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30

Xia, Chang-Kun, Wen Wu, Qiu-Yun Chen та Ji-Min Xie. "catena-Poly[[[2-(2-pyridyl)-1H-benzimidazole]cobalt(II)]-μ-benzene-1,4-dicarboxylato]". Acta Crystallographica Section E Structure Reports Online 63, № 11 (2007): m2726. http://dx.doi.org/10.1107/s1600536807049264.

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In the title coordination polymer, [Co(C8H4O4)(C12H9N3)] n , the CoII atom exists in an octahedral coordination environment formed by four carboxylate O atoms from two benzene-1,4-dicarboxylate ligands, and two N atoms from the 2-(2-pyridyl)benzimidazole ligand. Bridging by the benzene-1,4-dicarboxylate ligand leads to a zigzag chain structure, and intermolecular N—H...O hydrogen bonds as well as π–π interactions between the pyridyl ring and the benzene ring of the 2-(2-pyridyl)benzimidazole ligand (centroid–centroid distances = 3.678 and 3.697 Å) link the chains into a three-dimensional frame

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31

Wera, Michał, Damian Trzybiński, Karol Krzymiński, and Jerzy Błażejowski. "Phenyl acridine-9-carboxylate." Acta Crystallographica Section E Structure Reports Online 69, no. 2 (2013): o305. http://dx.doi.org/10.1107/s1600536813002055.

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The acridine ring system and the benzene ring in the title compound, C20H13NO2, are oriented at a dihedral angle of 6.4 (2)°. The carboxyl group is twisted at an angle of 83.6 (2)° relative to the acridine skeleton. The molecules in the crystal are arranged in stacks along thebaxis, with two of the acridine rings involved in multiple π–π interactions [centroid–centroid distances in the range 3.536 (2)–3.894 (2) Å]. Stacks arranged parallel are linkedviaC—H...π interactions, forming layers in theacplane that are in contact with adjacent, inversely oriented layersviaother C—H...π interactions, g

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32

Li, Zhengyi, Rong Liu, Meilan Zhu, Liang Chen, and Xiaoqiang Sun. "Crystal structure of azilsartan methyl ester ethyl acetate hemisolvate." Acta Crystallographica Section E Crystallographic Communications 71, no. 2 (2015): o84—o85. http://dx.doi.org/10.1107/s2056989014028023.

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The title compound, C26H22N4O5(systematic name: methyl 2-ethoxy-1-{4-[2-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]benzyl}-1H-1,3-benzodiazole-7-carboxylate ethyl acetate hemisolvate), was obtainedviacyclization of methyl (Z)-2-ethoxy-1-{(2′-(N′-hydroxycarbamimidoyl)-[1,1′-biphenyl]-4-yl)methyl}-1H-benzo[d]imidazole-7-carboxylate with diphenyl carbonate. There are two independent molecules (AandB) with different conformations and an ethyl acetate solvent molecule in the asymmetric unit. In moleculeA, the dihedral angle between the benzene ring and its attached oxadiazole ring is 59.36 (17)

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33

Divya Bharathi, M., G. Ahila, J. Mohana, G. Chakkaravarthi, and G. Anbalagan. "Crystal structure of 8-hydroxyquinolinium 2-carboxy-6-nitrobenzoate monohydrate." Acta Crystallographica Section E Crystallographic Communications 71, no. 4 (2015): o261—o262. http://dx.doi.org/10.1107/s205698901500571x.

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In the title hydrated salt, C9H8NO+·C8H4NO6−·H2O, the deprotonated carboxylate group is almost normal to its attached benzene ring [dihedral angle = 83.56 (8)°], whereas the protonated carboxylate group is close to parallel [dihedral angle = 24.56 (9)°]. In the crystal, the components are linked by N—H...O and O—H...O hydrogen bonds, generating [001] chains. The packing is consolidated by C—H...O and π–π [centroid-to-centroid distances = 3.6408 (9) and 3.6507 (9) Å] interactions, which result in a three-dimensional network.

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34

Xiong, Wei-Lu, Qing-Yan Liu, Na Zhang та Leng Wang. "A two-dimensional coordination polymer containing a two-dimensional zinc–carboxylate layer constructed from helical chains: poly[(μ4-benzene-1,2-dicarboxylato)zinc(II)]". Acta Crystallographica Section C Crystal Structure Communications 68, № 9 (2012): m235—m237. http://dx.doi.org/10.1107/s0108270112033045.

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The title compound, [Zn(C8H4O4)]n, consists of one ZnIIcation and one benzene-1,2-dicarboxylate dianion (BDC2−) as the building unit. The ZnIIcation is four-coordinated by four carboxylate O atoms from four dianionic BDC2−ligands in a distorted tetrahedral geometry. The ZnIIcations are linked by the BDC2−ligands to generate a structure featuring two-dimensional zinc–carboxylate layers containing left- and right-handed helical chains. The two-dimensional layers are stacked along theadirection. The thermal stability of the title compound has been studied.

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35

Aydın, Ömür, Nagihan Çaylak Delibaş, Hacali Necefoğlu та Tuncer Hökelek. "Diaquabis(2-iodobenzoato-κO)bis(nicotinamide-κN1)cobalt(II)". Acta Crystallographica Section E Structure Reports Online 68, № 4 (2012): m521—m522. http://dx.doi.org/10.1107/s160053681201330x.

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In the title complex, [Co(C7H4IO2)2(C6H6N2O)2(H2O)2], the CoIIcation is located on an inversion center and is coordinated by two monodentate 2-iodobenzoate (IB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the CoIIcation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 22.3 (3)°, while the pyridine ring and the benzene

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36

Zhong, Kai-Long. "2,9-Dimethyl-1,10-phenanthrolin-1-ium 2,4,5-tricarboxybenzoate monohydrate." Acta Crystallographica Section E Structure Reports Online 69, no. 12 (2013): o1782—o1783. http://dx.doi.org/10.1107/s1600536813030857.

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In the preparation of the title hydrated salt, C14H13N2+·C10H5O8−·H2O, a proton has been transfered to the 2,9-dimethyl-1,10-phenanthrolinium cation, forming a 2,4,5-tricarboxybenzoate anion. In the anion, the mean planes of the protonated carboxylate groups form dihedral angles of 11.0 (5), 4.4 (5) and 80.3 (4)° with the benzene ring to which they are attached. The mean plane of the deprotonated carboxylate group forms a dihedral angle of 10.6 (5)° with the benzene ring. In the crystal, the anions are involved in carboxylic acid O—H...Ocarboxylhydrogen bonds, generating a two-dimensional netw

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37

Gomes, Ligia R., John Nicolson Low, Carlos Fernandes, Alexandra Gaspar, and Fernanda Borges. "Crystal structures of ethyl 6-(4-methylphenyl)-4-oxo-4H-chromene-2-carboxylate and ethyl 6-(4-fluorophenyl)-4-oxo-4H-chromene-2-carboxylate." Acta Crystallographica Section E Crystallographic Communications 72, no. 1 (2016): 8–13. http://dx.doi.org/10.1107/s2056989015022781.

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The crystal structures of two chromone derivatives,viz.ethyl 6-(4-methylphenyl)-4-oxo-4H-chromene-2-carboxylate, C19H16O4, (1), and ethyl 6-(4-fluorophenyl)-4-oxo-4H-chromene-2-carboxylate C18H13FO4, (2), have been determined: (1) crystallizes with two molecules in the asymmetric unit. A comparison of the dihedral angles beween the mean planes of the central chromone core with those of the substituents, an ethyl ester moiety at the 2-position and apara-substituted phenyl ring at the 6-position shows that each molecule differs significantly from the others, even the two independent molecules (a

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38

Zhang, Wen-Zhi. "Poly[diaqua-μ4-benzene-1,4-dicarboxylato-di-μ2-benzene-1,4-dicarboxylato-bis(N,N′-dimethylformamide)digadolinium(III)]". Acta Crystallographica Section E Structure Reports Online 62, № 7 (2006): m1600—m1602. http://dx.doi.org/10.1107/s1600536806022884.

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In the title compound, [Gd2(C8H4O4)3(C3H7NO)2(H2O)2] n , the central GdIII atom is nine-coordinated by seven O atoms from benzene-1,4-dicarboxylate (1,4-BDC) ligands, one dimethylformamide and one water molecule in a distorted tricapped trigonal–prism coordination. The 1,4-BDC ligands link the GdIII atoms, forming a three-dimensional structure. All aromatic rings are located on centres of inversion. The water molecule forms hydrogen bonds to carboxylate groups.

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39

Çelik, Fatih, Nefise Dilek, Nagihan Çaylak Delibaş, Hacali Necefoğlu та Tuncer Hökelek. "catena-Poly[[diaquabis(4-formylbenzoato-κO1)nickel(II)]-μ-pyrazine-κ2N:N′]". Acta Crystallographica Section E Structure Reports Online 70, № 2 (2014): m65—m66. http://dx.doi.org/10.1107/s160053681400155x.

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In the title polymeric compound, [Ni(C8H5O3)2(C4H4N2)(H2O)2]n, the NiIIatom is located on a twofold rotation axis and has a slightly distorted octahedral coordination sphere. In the equatorial plane, it is coordinated by two carboxylate O atoms of two symmetry-related monodentate formylbenzoate anions and by two N atoms of the bridging pyrazine ligand, which is bisected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water molecules. In the formylbenzoate anion, the carboxylate group is twisted away from the attached benzene ring by 7.0 (6)°, w

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40

Linden, Anthony, and Tushar S. Basu Baul. "Structural diversity among some dialkyltin(IV) benzoate and related derivatives." Acta Crystallographica Section C Structural Chemistry 77, no. 5 (2021): 209–20. http://dx.doi.org/10.1107/s2053229621003545.

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The molecular structures of five diorganotin(IV) carboxylates, (I)–(V), can be categorized into two main well-known structural types for such Sn complexes. One is the mononuclear dialkytin(IV) carboxylates with an [R2Sn(LH)2]-type skew-trapezoidal bipyramid, where the alkyl ligands are in pseudo-axial positions and the O atoms from two asymmetrically coordinated bidentate carboxylate ligands are in the equatorial plane. This structure type is adopted by dibutylbis{(E)-2-hydroxy-5-[(3-methylphenyl)diazenyl]benzoato}tin(IV) cyclohexane hemisolvate, [Sn(C4H9)2(C14H11N2O3)2]·0.5C6H12, (I), dibenzy

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41

Aşkın, Gülçin Şefiye, Hacali Necefoğlu, Ali Murat Tonbul, Nefise Dilek та Tuncer Hökelek. "Crystal structure oftrans-diaquabis(nicotinamide-κN1)bis(4-nitrobenzoato-κO)manganese(II)". Acta Crystallographica Section E Crystallographic Communications 72, № 5 (2016): 656–58. http://dx.doi.org/10.1107/s2056989016005612.

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The asymmetric unit of the title compound, [Mn(C7H4NO4)2(C6H6N2O)2(H2O)2], contains one MnIIatom, one 4-nitrobenzoate (NB) anion, one nicotinamide (NA) ligand and one water molecule; NA and NB each act as a monodentate ligand. The MnIIatom, lying on an inversion centre, is coordinated by four O atoms and two pyridine N atoms in a distorted octahedral geometry. The water molecules are hydrogen bonded to the carboxylate O atoms. The dihedral angle between the carboxylate group and the adjacent benzene ring is 24.4 (3)°, while the benzene and pyridine rings are oriented at a dihedral angle of 86.

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42

Zhao, Jun-Tao, Jing-Jing Qi, You-Jun Zhou, Jia-Guo Lv, and Ju Zhu. "Ethyl 5-(4-aminophenyl)isoxazole-3-carboxylate." Acta Crystallographica Section E Structure Reports Online 68, no. 4 (2012): o1111. http://dx.doi.org/10.1107/s1600536812010653.

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The asymmetric unit of the title compound, C12H12N2O3, contains two molecules in which the benzene and isoxazole rings are almost coplanar, the dihedral angles between their mean planes being 1.76 (9) and 5.85 (8)°. The two molecules interact with each otherviaN—H...N and N—H...O hydrogen bonds, which link the molecules into layers parallel to theacplane. The layers stack in a parallel mode with an interlayer distance of 3.36 (7) Å.

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43

Hong, Jun. "catena-Poly[[bis(1-ethyl-1H-imidazole)copper(II)]-μ-benzene-1,3-dicarboxylato]". Acta Crystallographica Section E Structure Reports Online 63, № 11 (2007): m2671. http://dx.doi.org/10.1107/s1600536807047976.

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In the title compound, [Cu(C8H4O4)(C5H8N2)2] n , each CuII atom (site symmetry \overline{1}) is four-coordinated by two carboxylate O atoms from two different benzene-1,3-dicarboxylate ligands and two N atoms from two 1-ethyl-1H-imidazole ligands in a trans-CuN2O2 square-planar arrangement. Each benzene-1,3-dicarboxylate ligand, which possesses crystallographic twofold rotation symmetry, links two adjacent CuII atoms in a bis-monodentate mode, resulting in a chain with the 1-ethyl-1H-imidazole ligands attached on both sides.

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44

Ejsmont, Krzysztof, and Jacek Zaleski. "Tetrakis(tert-butylammonium) benzene-1,2,4,5-tetracarboxylate octahydrate." Acta Crystallographica Section E Structure Reports Online 63, no. 11 (2007): o4315. http://dx.doi.org/10.1107/s1600536807049690.

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In the crystal structure of the title compound, 4C4H12N+·C10H2O8 4−·8H2O, there is a centre of symmetry at the centre of the benzene ring; the asymmetric unit comprises one half-anion, two cations and four water molecules. The pyromellitate tetraanion is nonplanar; it and the cations exhibit normal geometry. The two unique carboxylate groups are twisted out of the plane of the benzene ring by about 40 and 50°. The network formed by the ions and water molecules is based on eight O—H...O and six N—H...O strong hydrogen bonds.

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45

Kumagai, Hitoshi, Satoshi Kawata та Nobuhiro Ogihara. "Crystal structure of catena-poly[[diaquadiimidazolecobalt(II)]-μ₂-2,3,5,6-tetrabromobenzene-1,4-dicarboxylato]". Acta Crystallographica Section E Crystallographic Communications 80, № 11 (2024): 1217–20. http://dx.doi.org/10.1107/s2056989024009915.

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The asymmetric unit of the title compound, [Co(C8Br4O4)(C3H4N2)2(H2O)2] n or [Co(Br4bdc)(im)2(H2O)2] n , comprises half of CoII ion, tetrabromobenzenedicarboxylate (Br4bdc2−), imidazole (im) and a water molecule. The CoII ion exhibits a six-coordinated octahedral geometry with two oxygen atoms of the Br4bdc2− ligand, two oxygen atoms of the water molecules, and two nitrogen atoms of the im ligands. The carboxylate group is nearly perpendicular to the benzene ring and shows monodentate coordination to the CoII ion. The CoII ions are bridged by the Br4bdc2− ligand, forming a one-dimensional chai

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46

Fazal, E., Manpreet Kaur, B. S. Sudha, S. Nagarajan, and Jerry P. Jasinski. "4-Chloro-3-methylphenyl quinoline-2-carboxylate." Acta Crystallographica Section E Structure Reports Online 69, no. 12 (2013): o1842—o1843. http://dx.doi.org/10.1107/s1600536813032017.

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In the title compound, C17H12ClNO2, the dihedral angle between the mean planes of the quinoline ring system and the benzene ring is 68.7 (7)°. The mean plane of the carboxylate group is twisted from the latter planes by 14.0 (1) and 80.2 (4)°, respectively. In the crystal, weak C—H...O interactions are observed, forming chains along [001]. In addition, π–π stacking interactions [centroid–centroid distances = 3.8343 (13) and 3.7372 (13)Å] occur. No classical hydrogen bonds were observed.

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47

Chandrasekar, S., Prakash Sharma Om, V. Srinivasapriyan, M. SureshKumar, and C. R. Ramanathan. "Ethyltrans-12-(pyridin-4-yl)-9,10-ethanoanthracene-11-carboxylate." Acta Crystallographica Section E Structure Reports Online 70, no. 5 (2014): o512. http://dx.doi.org/10.1107/s1600536814006588.

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In the title compound, C24H21NO2, the residues at the central ethylene bridge aretransto each other. The dihedral angles between the pyridine and benzene rings are 67.09 (6) and 61.41 (5)°. In the crystal, centrosymmetrically related molecules are linked into dimers by pairs of C—H...O hydrogen bonds.

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48

Shahid, Muhammad, Muhammad Nawaz Tahir, Muhammad Salim, and Munawar Ali Munawar. "Crystal structure of 3,4-dichloroanilinium hydrogen phthalate." Acta Crystallographica Section E Crystallographic Communications 71, no. 7 (2015): o446. http://dx.doi.org/10.1107/s2056989015010300.

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In the title salt, C6H6Cl2N+·C8H5O4−, the carboxylic acid and carboxylate groups of the anion form dihedral angles of 20.79 (19) and 74.76 (14)°, respectively, with the plane of the benzene ring. In the crystal, molecules are assembled into a two-dimensional polymeric network parallel to (100)viaN—H...O and O—H...O hydrogen bonds. In addition, within the layer, there are π–π stacking interactions between the benzene rings of the cation and the anion [centroid–centroid distance = 3.6794 (17) Å]. A weak C—H...O interaction is also observed.

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49

Danish, Muhammad, Muhammad Nawaz Tahir, Sana Iftikhar, Muhammad Asam Raza та Muhammad Ashfaq. "Tetraaquabis[2-(2-nitrophenyl)acetato-κO]cobalt(II)". Acta Crystallographica Section E Crystallographic Communications 71, № 3 (2015): m59—m60. http://dx.doi.org/10.1107/s2056989015002467.

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The molecule of the title compound, [Co(C8H6NO4)2(H2O)4], is centrosymmetric. It is a cobalt(II) complex, bearing two (2-nitrophenyl)acetate and four aqua ligands. The coordination around the CoIIatom is distorted octahedral, defined by four O atoms of water molecules in the equatorial plane and by two carboxylate O atoms at axial positions. The dihedral angles between the benzene ring and the acetate and nitro groups are 61.90 (10) and 19.21 (11)°, respectively. The water molecules form O—H...O hydrogen bonds with the nitro and carboxylate groups, leading to a layered structural arrangement p

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50

Zhou, Guanghua, Yue An, Jing Han, Maofa Ge, and Yongheng Xing. "Methyl 5-phenyl-1H-pyrazole-3-carboxylate." Acta Crystallographica Section E Structure Reports Online 63, no. 11 (2007): o4474. http://dx.doi.org/10.1107/s1600536807052452.

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The title compound, C11H10N2O2, was prepared by the esterfication of 5-phenyl-1H-pyrazole-3-carboxylic acid with methanol. The phenyl ring is rotated out of the pyrazole plane, forming a dihedral angle of 6.4 (1)°. The crystal structure is stabilized by intermolecular aromatic π–π interactions [with a centroid–centroid distance of 3.862 (3) Å between the pyrazole ring and the benzene ring of a neighboring molecule], and by three different types of hydrogen bond (N—H...N, N—H...O and C—H...O).

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