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Journal articles on the topic 'X-ray crystallography Naphthalene'

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Published: 4 June 2021

Last updated: 11 February 2022

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1

Zhang, Mao-Xi, Nathaniel B. Zuckerman, Philip F. Pagoria, et al. "Mono- and Dinitro-BN-Naphthalenes: Formation and Characterization." Molecules 26, no. 14 (2021): 4209. http://dx.doi.org/10.3390/molecules26144209.

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Mono- and dinitro-BN-naphthalenes, i.e., 1-nitro-, 3-nitro-, 1,6-dinitro-, 3,6-dinitro-, and 1,8-dinitro-BNN, were generated in the nitration of 9,10-BN-naphthalene (BNN), a boron–nitrogen (BN) bond-embedded naphthalene, with AcONO2 and NO2BF4 in acetonitrile. The nitrated products were isolated and characterized by NMR, GC-MS, IR, and X-ray single crystallography. The effects of the nitration on the electron density and aromaticity of BNN were evaluated by B-11 NMR analysis and HOMA calculations.

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2

Rajeswari, M., Pooja Saluja, and Jitender M. Khurana. "A facile and green approach for the synthesis of spiro[naphthalene-2,5′-pyrimidine]-4-carbonitrile via a one-pot three-component condensation reaction using DBU as a catalyst." RSC Advances 6, no. 2 (2016): 1307–12. http://dx.doi.org/10.1039/c5ra22817d.

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A series of novel spiro[naphthalene-2,5′-pyrimidine]-4-carbonitriles were synthesized using 1,3-dimethylbarbituric acid, aldehydes and cyclohexylidene malononitrile in presence of DBU. The structures were confirmed by spectral data and X-Ray crystallography.

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3

Pun, Sai Ho, Chi Kit Chan, Zhifeng Liu, and Qian Miao. "An 80-Carbon Aromatic Saddle Enabled by a Naphthalene-Directed Scholl Reaction." Organic Materials 02, no. 03 (2020): 248–52. http://dx.doi.org/10.1055/s-0040-1716499.

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Synthesis of an unprecedented aromatic saddle consisting of 80 sp2 carbons is enabled by including naphthylene groups in the substrate of the Scholl reaction. The negatively curved polycyclic framework of this aromatic saddle is revealed by the single crystal X-ray crystallography, and its stereodynamics are studied with density functional theory calculations.

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4

Öller, Hans-Jürgen, Paul Kiprof, and Hubert Schmidbaur. "Flexible ein-und zweikernige Aralkyl-und Aralkoxyquecksilberverbindungen als Modelle zum Nachweis von Hg(II)-Hg(II)-W echselwirkungen / Flexible Mono-and Dinuclear Aralkyl and Aralkoxy Mercury Compounds for Detection of Hg (II)-Hg (II) Interactions." Zeitschrift für Naturforschung B 47, no. 3 (1992): 333–43. http://dx.doi.org/10.1515/znb-1992-0306.

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The aralkyl and aralkoxy mercury(II) compounds 1-(chloromercury(II)methyl)naphthalene (1), bis[1-naphthylmethyl]mercury(II) (2), 1-naphthyl(1-naphthylmethyl)mercury(II) (3), 1,8-bis[chloromercury(II)methyl]naphthalene (4), methylmercury(II)-benzylate (5), methylmercury( II)-1-naphthylmethylate (6) and bis[methylmercury(II)]μ-1,8-naphthalenediyl-bismethylate (7) have been prepared and characterized by means of NMRspectroscopy, mass spectrometry and elemental analysis. The molecular structure of compound 2 has been determined by single X-ray crystallography. The unit cell of 2 contains two cryst

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5

Fryzuk, Michael D., Peihua Yu, and Brian O. Patrick. "Synthesis, structure, and reactivity of diamidophosphine complexes of yttrium and the lanthanides." Canadian Journal of Chemistry 79, no. 7 (2001): 1194–200. http://dx.doi.org/10.1139/v01-087.

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The reaction of the dilithiodiamidophosphine ligand precursor PhP(CH2SiMe2NPh)2Li2(THF)2([NPN]Li2(THF)2) with LnCl3(THF)3 (Ln = Y, Sm, Ho, Yb, Lu; THF = tetrahydrofuran) in refluxing toluene generates the mononuclear complexes [NPN]LnCl(THF) in good yield. The molecular structures have been shown to be five-coordinate in the solid state and in solution. Attempts to prepare alkyl derivatives have only met with partial success; the reaction of MeMgCl with [NPN]YCl(THF) generates the partially characterized mixed-metal derivative [NPN]YMe2MgCl. The reaction with LiAlH4 results in complete ligand

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6

Xu, Yun, Linglei Jiang, and Xuefeng Mei. "Supramolecular structures and physicochemical properties of norfloxacin salts." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 70, no. 4 (2014): 750–60. http://dx.doi.org/10.1107/s2052520614011718.

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Seven new molecular salts of norfloxacin (1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid; abbreviated as NF) with various organic acids (adipic acid, mucic acid,o-OH-benzoic acid,m-OH-benzoic acid,p-OH-benzoic acid, naphthalene-1, 5-disulfonic acid and naphthalene-2-sulfonic acid) were synthesized and their crystal structures were determined by X-ray crystallography. Supramolecular structures and reccurring packing patterns are discussed to understand the influence of non-covalent interactions in determination of the crystal packing and hydrate inclusion. The formation

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7

Cambie, Richard C., Carrie C. Liu, Clifford E. F. Rickard, and Peter S. Rutledge. "Skeletal Rearrangements of Ring C Aromatic Diterpenoids." Australian Journal of Chemistry 51, no. 7 (1998): 605. http://dx.doi.org/10.1071/c97198.

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The structure of a naphthalene derivative obtained by rearrangement of 13-methoxytotara-5,8,11,13-tetraen-7α-ol (2) has been revised to 5-(5′-isopropyl-6′-methoxy-2′-methyl-1′-naphthyl)-2-methylpent-2-ene (7). A minor oxidation product of 13-methoxytotara-8,11,13-triene (4) has been identified as 4-methoxy-3,3-dimethyl-7-(1′,3′,3′-trimethyl-2′-oxocyclohexanyl)isobenzofuran-1(3H)-one (16) and its structure confirmed by X-ray crystallography. Methyl 12-methoxypodocarpa-8,11,13-trien-19-oate (12) has been converted into an intermediate used in the synthesis of the linear diterpenoid umbrosone [3-

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8

Andric, Goja, John F. Boas, Alan M. Bond, et al. "Spectroscopy of Naphthalene Diimides and Their Anion Radicals." Australian Journal of Chemistry 57, no. 10 (2004): 1011. http://dx.doi.org/10.1071/ch04130.

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Naphthalene diimides 1–4 having different N,N-disubstitution undergo single electron reduction processes either chemically or electrochemically to yield the corresponding radical anion in high yield. This study concentrates on 1, bearing pentyl side chains connected through the diimide nitrogens, and compares the results obtained against those bearing isopropyl, propargyl, and phenylalanyl side chains. Compound 1 exhibits mirror image absorption and fluorescence in the near-UV region in CH2Cl2 and dimethylformamide that is typical of monomeric N,N-dialkyl-substituted naphthalene diimides. In t

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9

Wannebroucq, Amélie, Andrew P. Jarmyn, Mateusz B. Pitak, Simon J. Coles, and John D. Wallis. "Reactions and interactions between peri-groups in 1-dimethylamino-naphthalene salts: an example of a “through space” amide." Pure and Applied Chemistry 88, no. 4 (2016): 317–31. http://dx.doi.org/10.1515/pac-2015-1103.

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Abstract8-Dimethylaminonaphthalene-1-carbaldehyde reacts readily at 0°C with benzoyl or pivaloyl chloride by O-acylation and formation of a N–C bond (1.566(2)–1.568(3) Å) between the peri-substituents to give a salt. The reaction is promoted by electron donation from the dimethylamino group to the carbonyl group, akin to the properties of an amide. In contrast, the corresponding methyl ester and N,N-diisopropylamide react with acid in ether by protonation of the dimethylamino group and formation of a hydrogen bond to the carbonyl group, while under similar conditions the N,N-dimethylamide unde

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10

Collins, DJ, GD Fallon, and CE Skene. "Synthesis of 6-Methoxy-2-methyl-2-[(1'-methyl-2',5'-dioxocyclopentyl)methyl]-3,4-dihydro-naphthalen-1(2H)-one: Its Novel Base-Catalyzed Rearrangement to a Hydrophenanthrene Keto Acid." Australian Journal of Chemistry 47, no. 4 (1994): 623. http://dx.doi.org/10.1071/ch9940623.

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Reaction of 2-dimethylaminomethyl-6-methoxy-3,4-dihydronaphthalen-1(2H)-one (7) with 2-methylcyclopentane-1,3-dione gave 64% of 6-methoxy-2-[(1′-methyl-2′,5′-dioxocyclopentyl)-methyl]-3,4-dihydronaphthalen-1(2H)-one(6a), which with 1 equiv. of ethylene glycol in refluxing benzene in the presence of 4-toluenesulfonic acid yielded a diastereomeric mixture of the 2′,2̶-ethylenedioxy derivatives (13a,b); the major diastereomer (13a) was shown to have 1′SR,2RS stereochemistry by X-ray crystallography. With an excess of ethylene glycol and prolonged reflux the triketone (6a) underwent aldol cyclizat

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11

Wong, Wai-Yeung, Suk-Yue Poon, Mei-Fang Lin, and Wai-Kwok Wong. "Fluorescent Ethenyl- and Ethynyl-dimesitylboranes Derived from 5-(Dimethylamino)-N-(prop-2-ynyl)naphthalene-1-sulfonamide." Australian Journal of Chemistry 60, no. 12 (2007): 915. http://dx.doi.org/10.1071/ch07242.

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Two new fluorescent ethenyl- and ethynyl-dimesitylboranes functionalized with a dansyl group 1 and 2 have been synthesized in good yields. Compound 1 was prepared by the hydroboration of 5-(dimethylamino)-N-(prop-2-ynyl)naphthalene-1-sulfonamide I with dimesitylborane (HB(Mes)2) in dry tetrahydrofuran at room temperature, and compound 2 was synthesized by Pd-catalyzed cross-coupling of I with 4-I-C6H4B(Mes)2. Both organoborane compounds 1 and 2 have been characterized by infrared spectroscopy, NMR spectroscopy, and mass spectrometry. The molecular structures of I and 1 were confirmed by X-ray

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12

Khodabakhshi-Javinani, Davood, Azadeh Ebrahim-Habibi, Minoo Afshar, and Latifeh Navidpour. "Virtual Screening of Henna Compounds Library for Discovery of New Leads against Human Thymidine Phosphorylase, an Overexpressed Factor of Hand-Foot Syndrome." Letters in Drug Design & Discovery 16, no. 6 (2019): 625–36. http://dx.doi.org/10.2174/1570180815666180816123233.

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Background: Capecitabine is one of the most effective and successful drugs for the treatment of uterine and colorectal cancer which has been limited in use due to occurrence of handfoot syndrome (HFS). Overexpression of human thymidine phosphorylase enzyme is predicted to be one of the main causes of this syndrome. Thymidine phosphorylase enzyme is involved in many cancers and inflammatory diseases and pyrimidine nucleoside phosphorylase family is found in a variety of organisms. Results of clinical studies have shown that topical usage of henna plant (Lawsonia inermis from the family of Lythr

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13

Ohtsuka, Kenta, Guangke Cai, Kazuya Fujita, Hirokazu Miyoshi, and Yoshito Tobe. "Synthesis and structures of [2n](2,7)naphthalenophanes (n = 2–4)." Canadian Journal of Chemistry 95, no. 4 (2017): 445–49. http://dx.doi.org/10.1139/cjc-2016-0583.

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Reductive coupling of 2,7-bis(bromomethyl)naphthalene using phenyllithium gave anti-[22](2,7)naphthalenophane, [23](2,7)naphthalenophane, and [24](2,7)naphthalenophane, the distribution of which was dependent on the reaction conditions. The structure of the first compound was established by X-ray crystallographic analysis. On the basis of the similarity between the NMR and UV spectra of [23](2,7)naphthalenophane with those reported for syn-[22](2,7)naphthalenophane, we conclude that the compound originally assigned to be syn-4 was in fact 6.

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14

Pierens, Gregory K., T. K. Venkatachalam, Paul V. Bernhardt, Mark J. Riley, and David C. Reutens. "A Solid State Study of Keto-enol Tautomerismin Three Naphthaledene Schiff Bases." Australian Journal of Chemistry 65, no. 5 (2012): 552. http://dx.doi.org/10.1071/ch12122.

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Three naphthaledene Schiff bases were synthesized and a detailed analysis by variable temperature X-ray crystallography and solid state electronic spectra was undertaken to assess the tautomeric composition. The crystal structures showed no significant changes despite the compounds changing colour with temperature. Solid state UV spectra were acquired at low temperature and showed that the major absorption band broadened as the temperature was increased. In one compound absorptions were observed that increased in intensity as the temperature increased. For these compounds, the major contributi

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15

Cross, Wendy I., Kevin R. Flower, and Robin G. Pritchard. "Tautomerisation in 1-(4-Methylphenylazo)naphthalen-2-ol and 2-(4-Methylphenylazo)-4-methylphenol: A Crystallographic and 13C{1H}NMR Study." Journal of Chemical Research 23, no. 3 (1999): 178–79. http://dx.doi.org/10.1177/174751989902300304.

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The acetic acid esters of 1-(4-methylphenylazo)naphthalen-2-ol 1 and 2-(4-methylphenylazo)-4-methylphenol 3 are prepared and characterised by single crystal X-ray diffraction studies and 13C{1H}NMR spectroscopy; the position of the C(2)13C resonance for the ester is used to predict the position of resonant frequency of the equivalent carbon in the parent alcohols and hence, calculate the position of the azo-hydrazone equilibrium in these compounds.

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16

Swinton Darious, Robert, Packianathan Thomas Muthiah, and Franc Perdih. "Supramolecular interactions in 2,6-diamino-4-chloropyrimidin-1-ium 5-chlorosalicylate and bis(2,6-diamino-4-chloropyrimidin-1-ium) naphthalene-1,5-disulfonate." Acta Crystallographica Section E Crystallographic Communications 74, no. 2 (2018): 237–41. http://dx.doi.org/10.1107/s2056989018001196.

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The crystals of two new salts, 2,6-diamino-4-chloropyrimidin-1-ium 5-chlorosalicylate, C4H6ClN4 +·C7H4ClO3 −, (I), and bis(2,6-diamino-4-chloropyrimidin-1-ium) naphthalene-1,5-di-sulfonate, 2C4H6ClN4 +·C10H6O6S2 2−, (II), have been synthesized and characterized by single-crystal X-ray diffraction. In both compounds, the N atom of the pyrimidine group in between the amino substituents is protonated and the pyrimidinium cation forms a pair of N—H...O hydrogen bonds with the carboxylate/sulfonate ion, leading to a robust R 2 2(8) motif (supramolecular heterosynthon). In compound (I), a self-compl

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17

Gill, Melvyn, Petra M. Millar, Evelin Raudies, Somphone Phonh-Axa, Jonathan M. White, and Jin Yu. "Pigments of Fungi. LVII. Structure and X-Ray Crystallographic Analysis of Dermocanarin 10, a New Naphthalene - Dihydroanthracenone Dimer from an Australian Dermocybe Toadstool." Australian Journal of Chemistry 52, no. 9 (1999): 881. http://dx.doi.org/10.1071/ch99078.

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The structure and absolute stereochemistry of the fungal metabolite dermocanarin 10 (2), which differs from all previous members of the dermocanarin group by virtue of the connectivity between the anthraquinone and dimethoxynaphthol rings, is deduced from spectroscopic data and confirmed by a single-crystal X-ray structure analysis.

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18

Lin, Wenhua, Liping Zhang, Jiahao Gao, et al. "6-Arylimino-2-(2-(1-phenylethyl)naphthalen-1-yl)-iminopyridylmetal (Fe and Co) Complexes as Highly Active Precatalysts for Ethylene Polymerization: Influence of Metal and/or Substituents on the Active, Thermostable Performance of Their Complexes and Resultant Polyethylenes." Molecules 25, no. 18 (2020): 4244. http://dx.doi.org/10.3390/molecules25184244.

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A series of 6-arylimino-2-(2-(1-phenylethyl)naphthalen-1-yl)iminopyridines and their iron(II) and cobalt(II) complexes (Fe1–Fe5, Co1–Co5) were synthesized and routinely characterized as were Co3 and Co5 complexes, studied by single crystal X-ray crystallography, which individually displayed a distorted square pyramidal or trigonal bipyramid around a cobalt center. Upon treatment with either methyluminoxane (MAO) or modified methyluminoxane (MMAO), all complexes displayed high activities regarding ethylene polymerization even at an elevated temperature, enhancing the thermostability of the acti

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19

Głowiak, T., C. Hebda, and J. Szykuła. "X-ray crystallographic determination of the structure and conformation of 7-(1-acetoxy-1-methylethyl)-4a-methyl-octahydro-2(3H)-naphthalenone." Journal of Crystallographic and Spectroscopic Research 19, no. 1 (1989): 167–73. http://dx.doi.org/10.1007/bf01160853.

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20

Decken, Andreas, James F. Britten, and Michael J. McGlinchey. "Facile haptotropic shifts in organometallic complexes of 4H-cyclopenta[def]phenanthrene via naphthalene-type transition states: synthetic, x-ray crystallographic, NMR spectroscopic, and EHMO studies." Journal of the American Chemical Society 115, no. 16 (1993): 7275–84. http://dx.doi.org/10.1021/ja00069a029.

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21

Gill, Melvyn, Petra M. Millar, Somphone Phonh-Axa, Evelin Raudies, Jonathan M. White, and Jin Yu. "ChemInform Abstract: Pigments of Fungi. Part 57. Structure and X-Ray Crystallographic Analysis of Dermocanarin 10, a New Naphthalene-Dihydroanthracenone Dimer from an Australian Dermocybe Toadstool." ChemInform 31, no. 10 (2010): no. http://dx.doi.org/10.1002/chin.200010163.

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22

Tsubomoto, Yutaka, Satoko Hayashi, Waro Nakanishi, Takahiro Sasamori та Norihiro Tokitoh. "Nature ofE2X2σ(4c–6e) of theX---E—E---Xtype at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach". Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 73, № 2 (2017): 265–75. http://dx.doi.org/10.1107/s205252061700364x.

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The nature ofE2X2σ(4c–6e) of theX-*-E-*-E-*-Xtype is elucidated for 1-(8-XC10H6)E–E(C10H6X-8′)-1′ [(1)E,X= S, Cl; (2) S, Br; (3) Se, Cl; (4) Se, Br] after structural determination of (1), (3) and (4), together with modelA[MeX---E(H)—E(H)---XMe (E= S and Se;X= Cl and Br)]. The quantum theory of atoms-in-molecules dual functional analysis (QTAIM-DFA) is applied. The total electron energy densitiesHb(rc) are plottedversus Hb(rc) –Vb(rc)/2 for the interactions at the bond critical points (BCPs; *), whereVb(rc) show the potential energy densities at the BCPs. Data for the perturbed structures aroun

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23

Kayalvizhi, M., G. Vasuki, A. Veerareddy, B. Sreenivasulureddy, and A. Veerabhadrarao. "FT-IR, 1H NMR, 13C NMR and X-ray crystallographic structure determination of 4-nitro-benzenesulfonic acid 2,4-bis-(1-phenyl-ethyl)-naphthalen-1-yl ester." Journal of Structural Chemistry 56, no. 2 (2015): 392–95. http://dx.doi.org/10.1134/s0022476615020298.

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24

Fedushkin, Igor L., Mikhail N. Bochkarev, Herbert Schumann та Lothar Esser. "Binuclear complexes of La(III) and Eu(II) with the bridging naphthalene dianion. Synthesis and X-ray crystallographic analysis of [μ2-η4:η4-C10H8][LaI2(THF)3]2 and [μ2-η4:η4-C10H8][EuI(DME)2]2". Journal of Organometallic Chemistry 489, № 1-2 (1995): 145–51. http://dx.doi.org/10.1016/0022-328x(94)05145-2.

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25

"Reminiscences and discoveries: Dorothy Hodgkin and the Indian connection." Notes and Records of the Royal Society of London 50, no. 1 (1996): 115–27. http://dx.doi.org/10.1098/rsnr.1996.0010.

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Dorothy Hodgkin - as crystallographer, scientist and human being - far surpasses most, and so it is not easy to write about her many-splendoured personality. Instead, my aim here will he to discuss her influence on the growth of X-ray crystallography in India, directly through those who worked with her and indirectly by her travelling all over this country. In such an account, one must be pardoned for some personal element creeping in. In the twenties, India had developed a fairly strong tradition in X-ray physics. The six-week visit of C.V. Raman to Europe in 1921 greatly changed his research

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