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Journal articles on the topic 'Benzoyl thiourea'

Author: Grafiati

Published: 4 June 2021

Last updated: 9 February 2022

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1

Rosiak, Damian, Andrzej Okuniewski, and Jarosław Chojnacki. "The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas." Acta Crystallographica Section C Structural Chemistry 77, no. 1 (January 1, 2021): 11–19. http://dx.doi.org/10.1107/s2053229620015594.

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By the reaction of benzoyl chloride, potassium isothiocyanate and the appropriate halogenoaniline, i.e. 2/3/4-(bromo/iodo)aniline, we have obtained five new 1-benzoyl-3-(halogenophenyl)thioureas, namely, 1-benzoyl-3-(2-bromophenyl)thiourea and 1-benzoyl-3-(3-bromophenyl)thiourea, C14H11BrN2OS, and 1-benzoyl-3-(2-iodophenyl)thiourea, 1-benzoyl-3-(3-iodophenyl)thiourea and 1-benzoyl-3-(4-iodophenyl)thiourea, C14H11IN2OS. Structural and conformational features of the compounds have been analyzed using X-ray diffraction and theoretical calculations. The novel compounds were characterized by solid-state IR and 1H/13C NMR spectroscopy. The conformations and intermolecular interactions, such as hydrogen bonds, π–π and S(6)...π stacking, and X...O (X = I or Br), I...S and I...π, have been examined and rationalized, together with four analogous compounds described previously in the literature. The set of nine compounds was chosen to examine how a change of the halogen atom and its position on the phenyl ring affects the molecular and crystal structures.

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2

Gaber, Abd El-Aal M., Morsy M. Aly, and Ahmed A. Atalla. "Thermolysis of some thiourea derivatives." Collection of Czechoslovak Chemical Communications 56, no. 10 (1991): 2183–87. http://dx.doi.org/10.1135/cccc19912183.

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Thermolysis of N/benzoyl-N’,N’-diphenylthiourea (BDTU)(I) at 250°C gives NH3, H2S, H2O, benzaldehyde, benzil, benzonitrile, diphenylamine, diphenylcyanamide, 2-phenylbenzimidazole, benzoyl isothiocyanate, carbazole and 2-phenylbenzthiazole, whereas, thermolysis of N-benzoyl-N'-o-tolylthiourea (BTTU) (II) under the same conditions afford NH3, H2S, H2O, benzaldehyde, benzil, benzonitrile, o-toluidine, o-tolyl isothiocyanate, o-tolylcyanamide, benzoyl isothiocyanate and N,N’-di-o-tolylthiourea. The main feature of these thermolyses is homolysis of the amide and thioamide bonds providing free radicals that undergo the common reactions involving H-abstraction, dimerization, coupling, fragmentation, rearrangement and cyclization. A suitable mechanism has been suggested to account for the observed products.

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3

Gonçalves, Itamar L., Rafaela R. da Rosa, Vera L. Eifler-Lima, and Aloir A. Merlo. "The use of isoxazoline and isoxazole scaffolding in the design of novel thiourea and amide liquid-crystalline compounds." Beilstein Journal of Organic Chemistry 16 (February 6, 2020): 175–84. http://dx.doi.org/10.3762/bjoc.16.20.

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A series of novel thiourea and amide liquid crystals containing 5-membered isoxazoline and isoxazole rings were synthetized and the liquid crystal properties studied. Thioureas were obtained using a condensation reaction of benzoyl chlorides, arylamines and ammonium thiocyanate. The amides, on the other hand, were the byproduct of a quantitative reaction which used potassium cyanate as the starting material. Thiourea and amide derivatives were predominantly SmA mesophase inductors. A nematic mesophase was observed only for thioureas and amides containing an isoxazole ring. Additionaly, the liquid crystal behavior was also dependent on the relative position of nitrogen and oxygen atoms on the 5-membered heterocycle.

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4

Jin, Zong-ming, Weiqun Zhou, and Zheng Jin. "X-ray powder diffraction analysis of a nonlinear optical material 1-benzoyl-3-(4-benzyl)thiourea [N-benzoyl-N′-(4-benzyl)thiourea]." Powder Diffraction 13, no. 1 (March 1998): 41–43. http://dx.doi.org/10.1017/s088571560000974x.

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A nonlinear optical material, 1-benzoyl-3-(4-benzyl)thiourea (C15H14N2OS), has been characterized by X-ray powder diffraction. Experimental values of 2θ corrected for systematic errors, relative peak intensities, values of d, and the Miller indices of 82 observed reflections with 2θ up to 80° are reported. The powder diffraction data have been evaluated, and the figures-of-merit are reported. The least-squares refined unit cell parameters are a=22.0243(6)Å, b=10.9795(7)Å, c=13.0322(8)Å, β=116.88(2)°, V=2810.8(9)Å3, Z=8, Dx=1.278 g/cm3, space group Pn.

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5

Binzet, Gün, Gülten Kavak, Nevzat Külcü, Süheyla Özbey, Ulrich Flörke, and Hakan Arslan. "Synthesis and Characterization of Novel Thiourea Derivatives and Their Nickel and Copper Complexes." Journal of Chemistry 2013 (2013): 1–9. http://dx.doi.org/10.1155/2013/536562.

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New benzoyl thiourea derivatives and their nickel and copper complexes were synthesized. The structure of the synthesized compounds were confirmed by elemental analysis, FT-IR, and1H NMR techniques. Four of the synthesized compounds are analyzed by X-ray single crystal diffraction technique. WhereasN,N-dimethyl-N′-(4-fluorobenzoyl)thiourea,N,N-diethyl-N′-(4-fluorobenzoyl)thiourea, andN,N-di-n-butyl-N′-(4-fluorobenzoyl) thiourea crystallize in the monoclinic system,bis(N,N-di-n-propyl-N′-(4-fluorobenzoyl)thioureato) nickel(II) complex crystallizes in the triclinic system. These ligand molecules form dimers through strong intermolecular hydrogen bonds such as N–H⋯S, C–H⋯O, and N–H⋯O. Moreover, there are different types of intramolecular interactions in the crystal structures.Bis(N,N-dimethyl-N′-(4-fluorobenzoyl)thioureato) nickel(II) complex has a nearly square-planar coordination. The distance of nickel atom from the best plane through the coordination sphere is 0.029 Å.

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6

Journal, Baghdad Science. "Synthesis of New Amide and ThioUrease Compounds." Baghdad Science Journal 4, no. 3 (September 2, 2007): 430–37. http://dx.doi.org/10.21123/bsj.4.3.430-437.

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The reaction of some new Schiff bases ( 2-[(2-Amino – ethylimino)-methyl]-R , 2-({2-[(R-benzylidene)-amino]-ethylimino}-methyl)-R with Benzoyl chloride or Acetyl chloride were carried out. Subsequent reactions of these products N-(2-Amino-ethyl)-N-[Chloro-(R) –methyl]-benzamide or N-(2-{?-[chloro-(R) –methyl]-amino}-ethyl)-N-[chloro-(R) –methyl]- benzamide with thiourea afforded thioureas compounds. The synthesized compounds were confirmed by their IR,UV,spectra and C.H.N. analysis.

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7

Binzet, Gun, Bülent Zeybek, Esma Kılıç, Nevzat Külcü, and Hakan Arslan. "Determination of the Ionization Constants of Some Benzoyl Thiourea Derivatives in Dioxane-Water Mixture." Journal of Chemistry 2013 (2013): 1–7. http://dx.doi.org/10.1155/2013/201238.

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The stoichiometric ionization constants ofN,N-dialkyl-N′-(4-substituted benzoyl) thiourea (Substitutes: H, Cl, and Br; alkyl groups: ethyl,n-propyl,n-butyl, and phenyl) derivatives have been determined potentiometrically in dioxane-water (v:v, 50:50) mixture at ionic strength of 0.1 M and25.0±0.1°C. The ionization constants were calculated with the BEST computer program and the formation curves using the data obtained from the potentiometric titrations. The effects of substituents and alkyl groups on the ionization constants of the benzoyl thiourea derivatives have been investigated. A comparison of the basicities of ethyl,n-propyl, andn-butyl thiourea derivatives(−C2H5<−C3H7<−C4H9)shows that then-butyl group is a more powerful electron-releasing group than the other groups in 50% dioxane-50% water mixture (v:v). So, the acidity of benzoyl thiourea derivative compounds decreases, while the length of alkyl chain increases. The orders ofpKavalues for all thiourea derivatives are as expected in the light of steric, resonance and inductive effects of substituents. Furthermore, when the basicities of halogen derivatives of the same substitution pattern are compared, orders obtained (4-Br<4-Cl<4-H) can be explained by considering the total electronic substituent effect (electron-withdrawing and electron-donating effects) except the 4-Br_Ph derivative.

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8

Li, Ru Lin, Lin Wang, and Gang Xue. "Study on Preparation, Biological Activity and Thermal Decomposition of N-Benzoyl-N＇-(4-Chlorobenzamido) Thiourea." Advanced Materials Research 236-238 (May 2011): 1914–18. http://dx.doi.org/10.4028/www.scientific.net/amr.236-238.1914.

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A novel compound N-benzoyl-N＇-(4-chlorobenzamido) thiourea was prepared from benzoyl isothiocyanate which was obtained from benzoyl chloride and potassium thiocyanate, and 4-chlorobenzoyl hydrazine which was obtained from ethyl 4-chlorobenzoate and hydrazine hydrate. IR,1H NMR,13C NMR and elemental analysis were utilized to determine the structure of the thiourea. The biological tests indicated that the target compound had antibacterial activity against bacillus subtilis and taphylo-coccus aurers. Meanwhile, the thermal stability was investigated by thermogrativity（TG） and differential thermogrativity (DTG). The results demonstrated there was one weight-loss in the thermal decomposition process. The thermal kinetics equation obtained describing the thermal decomposition process was expressed as .

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9

Selvakumaran, N., M. Mary Sheeba, R. Karvembu, Seik Weng Ng, and Edward R. T. Tiekink. "3-Benzoyl-1-(2-methoxyphenyl)thiourea." Acta Crystallographica Section E Structure Reports Online 68, no. 12 (November 3, 2012): o3259. http://dx.doi.org/10.1107/s160053681204456x.

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10

Zhang, You-Ming, Liang Xian, Tai-Bao Wei, and Li-Xiang Cai. "N-Benzoyl-N′-(2-hydroxyethyl)thiourea." Acta Crystallographica Section E Structure Reports Online 59, no. 6 (May 16, 2003): o817—o819. http://dx.doi.org/10.1107/s1600536803010213.

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11

Zhang, D. C., Y. Q. Zhang, Y. Cao, and B. Zhao. "1-Benzoyl-3-(4-nitrophenyl)thiourea." Acta Crystallographica Section C Crystal Structure Communications 52, no. 7 (July 15, 1996): 1716–18. http://dx.doi.org/10.1107/s0108270196001047.

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12

Cao, Y., B. Zhao, Y. Q. Zhang, and D. C. Zhang. "1-Benzoyl-3-(4-methoxyphenyl)thiourea." Acta Crystallographica Section C Crystal Structure Communications 52, no. 7 (July 15, 1996): 1772–74. http://dx.doi.org/10.1107/s0108270196001989.

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13

Yusof, M. Sukeri M., and Bohari M. Yamin. "N-Benzoyl-N'-(2-chlorophenyl)thiourea." Acta Crystallographica Section E Structure Reports Online 60, no. 8 (July 24, 2004): o1403—o1404. http://dx.doi.org/10.1107/s1600536804017544.

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14

Rauf, M. Khawar, Masahiro Ebihara, Amin Badshah, and Imtiaz-ud-Din. "1-Benzoyl-3-(2,4,5-trichlorophenyl)thiourea." Acta Crystallographica Section E Structure Reports Online 68, no. 1 (December 14, 2011): o119. http://dx.doi.org/10.1107/s1600536811052780.

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15

Al-abbasi, Aisha A., Siew San Tan, and Mohammad B. Kassim. "1-Benzoyl-3-(4-hydroxyphenyl)thiourea." Acta Crystallographica Section E Structure Reports Online 66, no. 12 (November 13, 2010): o3181. http://dx.doi.org/10.1107/s1600536810045988.

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16

Du, Wen-Hu, Chang-Mei Wei, and Wei-Feng Wang. "1-Benzoyl-3-(5-quinolyl)thiourea." Acta Crystallographica Section E Structure Reports Online 65, no. 2 (January 14, 2009): o308. http://dx.doi.org/10.1107/s1600536809000932.

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17

Dong, Wen-Kui, Xiao-Qing Yang, and Jian-Hua Feng. "N-Benzoyl-N′-(3-pyridyl)thiourea." Acta Crystallographica Section E Structure Reports Online 62, no. 8 (July 26, 2006): o3459—o3460. http://dx.doi.org/10.1107/s1600536806027516.

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18

Zhang, Bin, Bi-Quan Su, and Liang Xian. "N-Benzoyl-N′-(2-methylphenyl)thiourea." Acta Crystallographica Section E Structure Reports Online 62, no. 9 (August 23, 2006): o4024—o4026. http://dx.doi.org/10.1107/s1600536806032740.

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19

Usman, Anwar, Ibrahim Abdul Razak, Suhana Satar, Maisara Abdul Kadir, Bohari M. Yamin, and Hoong-Kun Fun. "N-Benzoyl-N′-(2,6-dimethylphenyl)thiourea." Acta Crystallographica Section E Structure Reports Online 58, no. 6 (May 17, 2002): o656—o658. http://dx.doi.org/10.1107/s1600536802008450.

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20

Abosadiya, Hamza Milad, Bohari M. Yamin, and Nurziana Ngah. "N-Benzoyl-N′-(3-hydroxyphenyl)thiourea." Acta Crystallographica Section E Structure Reports Online 63, no. 5 (April 18, 2007): o2403—o2404. http://dx.doi.org/10.1107/s1600536807016509.

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21

Rauf, M. Khawar, Amin Badshah, Ulrich Flörke, and Aamer Saeed. "1-Benzoyl-3-(3-chlorophenyl)thiourea." Acta Crystallographica Section E Structure Reports Online 62, no. 3 (February 17, 2006): o1060—o1061. http://dx.doi.org/10.1107/s1600536806005058.

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22

Khawar Rauf, M., Amin Badshah, Ulrich Flörke, Aamer Saeed, and M. Adeel Saeed. "1-Benzoyl-3-(2,6-dichlorophenyl)thiourea." Acta Crystallographica Section E Structure Reports Online 62, no. 4 (March 8, 2006): o1264—o1265. http://dx.doi.org/10.1107/s1600536806007343.

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The asymmetric unit of the title compound, C14H10Cl2N2OS, contains two independent molecules with slightly different conformations with respect to the aromatic ring planes. The two independent molecules form dimers via intermolecular N—H...S hydrogen bonds; the dimers are stacked along [100].

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23

Khawar Rauf, M., Amin Badshah, Ulrich Flörke, and Aamer Saeed. "1-Benzoyl-3-(3,4-dichlorophenyl)thiourea." Acta Crystallographica Section E Structure Reports Online 62, no. 4 (March 15, 2006): o1380—o1381. http://dx.doi.org/10.1107/s1600536806008336.

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In the molecule of the title compound, C14H10Cl2N2OS, the dihedral angle between the two aromatic rings is 38.58 (6)°. In the crystal structure, centrosymmetric dimers are formed via intermolecular N—H...S hydrogen bonds [N...S = 3.4798 (16) Å]. These dimeric units are, in turn, connected by weak intermolecular C—H...O hydrogen bonds, forming one-dimensional chains along [100].

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24

Khawar Rauf, M., Amin Badshah, Ulrich Flörke, and Aamer Saeed. "1-Benzoyl-3-(4-chlorophenyl)thiourea." Acta Crystallographica Section E Structure Reports Online 62, no. 4 (March 15, 2006): o1419—o1420. http://dx.doi.org/10.1107/s160053680600910x.

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In the crystal structure of the title compound, C14H11ClN2OS, the dihedral angle between the two aromatic ring planes is 43.93 (6)°. The crystal packing shows dimers formed by intermolecular N—H...S hydrogen bonds which are stacked along [100].

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25

Sun, Chuan-Wen, and Xiao-Dong Zhang. "N-Benzoyl-N′-(tert-butylaminocarbonyl)thiourea." Acta Crystallographica Section E Structure Reports Online 62, no. 7 (June 9, 2006): o2700—o2701. http://dx.doi.org/10.1107/s1600536806019799.

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The asymmetric unit of the title compound, C13H17N3O2, contains two molecules and neither of them adopts a planar conformation. The crystal structure is stabilized by the intermolecular N—H...O and intramolecular N—H...O and N—H...S hydrogen bonds. The intermolecular hydrogen bonds link the molecules to form infinite chains along the b axis.

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26

Rosiak, Damian, Andrzej Okuniewski, and Jarosław Chojnacki. "Copper(I) iodide ribbons coordinated with thiourea derivatives." Acta Crystallographica Section C Structural Chemistry 74, no. 12 (November 15, 2018): 1650–55. http://dx.doi.org/10.1107/s2053229618015620.

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Two products of the reactions of CuI with 1-benzoyl-3-(4-bromophenyl)thiourea and with 1-benzoyl-3-(2-iodophenyl)thiourea have been obtained and characterized, namely poly[[[1-benzoyl-3-(4-bromophenyl)thiourea-κS]-μ3-iodido-copper(I)] acetone hemisolvate], {[CuI(C14H11BrN2OS)]·0.5C3H6O} n , and poly[μ4-iodido-μ3-iodido-[N-(benzo[d]thiazol-2-yl)benzamide-κN]dicopper(I)], [Cu2I2(C14H10N2OS)] n . Their structures, determined by single-crystal X-ray diffraction analysis, exhibit different stoichiometries and molecular organizations; however, both compounds are polymeric and possess close Cu...Cu contacts. The first product contains a (CuI) n double chain supported by the thiourea derivative coordinated via the S atom. In the second case, the ligand undergoes dehalogenation and cyclization to form N-(benzo[d]thiazol-2-yl)benzamide that serves as the N-donor ligand which is connected to both sides of a (CuI) n quadruple chain. In both hybrid inorganic chains, I atoms bridge three or four Cu atoms. The coordination centres adopt more or less distorted tetrahedral geometries. The structures of the (CuI) n kernels of the ribbons are similar to fragments of the layers in high-pressure phase V copper(I) iodide. Only weak S...O, C—H...O, C—H...I and π–π interactions hold the ribbons together, allowing the formation of crystals.

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27

Castro, Rosane de P., Fernando C. Macedo, Tiago O. Brito, Angelo de Fátima, and José R. Sabino. "3-Benzoyl-1-[4-(methylsulfanyl)phenyl]thiourea." Acta Crystallographica Section E Structure Reports Online 69, no. 6 (May 18, 2013): o923. http://dx.doi.org/10.1107/s1600536813013159.

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28

Bhattacharjee, Tirtha, Prasanta Gogoi, Vedavati G. Puranik, Rupesh L. Gawade, and Pranjit Barman. "1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea." Acta Crystallographica Section C Crystal Structure Communications 68, no. 12 (November 9, 2012): o485—o487. http://dx.doi.org/10.1107/s0108270112045167.

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In the title compound, C21H18N2OS2, a strong intramolecular N—H...O hydrogen bond [N...O = 2.642 (3) Å] between the amide N atom and the benzoyl O atom forms an almost planar six-membered ring in the central part of the molecule. In the crystal, molecules are packed through weak N—H...S interactions. Intra- and intermolecular hydrogen bonds and van der Waals interactions are the stabilizing forces for the crystal structure.

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29

Saeed, Sohail, Naghmana Rashid, Jerry P. Jasinski, and James A. Golen. "1-Benzoyl-3-(naphthalen-1-yl)thiourea." Acta Crystallographica Section E Structure Reports Online 67, no. 12 (November 5, 2011): o3187. http://dx.doi.org/10.1107/s160053681104582x.

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30

Rauf, M. Khawar, Masahiro Ebihara, Amin Badshah, and Imtiaz-ud-Din. "1-Benzoyl-3-(4-n-butylphenyl)thiourea." Acta Crystallographica Section E Structure Reports Online 68, no. 1 (December 14, 2011): o120. http://dx.doi.org/10.1107/s1600536811051774.

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31

Selvakumaran, N., R. Karvembu, Seik Weng Ng, and Edward R. T. Tiekink. "1-Benzoyl-3,3-bis(2-methylpropyl)thiourea." Acta Crystallographica Section E Structure Reports Online 67, no. 3 (February 12, 2011): o602. http://dx.doi.org/10.1107/s1600536811004557.

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32

Khawar Rauf, M., Amin Badshah, and Ulrich Flörke. "1-Benzoyl-3-[3-(trifluoromethyl)phenyl]thiourea." Acta Crystallographica Section E Structure Reports Online 62, no. 6 (May 24, 2006): o2452—o2453. http://dx.doi.org/10.1107/s1600536806018630.

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33

Milosavljevic, Milutin, Ivan Vukicevic, Veis Serifi, Jasmina Markovski, Ivana Stojiljkovic, Dusan Mijin, and Aleksandar Marinkovic. "Optimization of the synthesis of N-alkyl and N,N-dialkyl thioureas from waste water containing ammonium thiocyanate." Chemical Industry and Chemical Engineering Quarterly 21, no. 4 (2015): 501–10. http://dx.doi.org/10.2298/ciceq141221006m.

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The optimized methods for N-alkyl and N,N-dialkyl substituted thioureas synthesis starting from ammonium thiocyanates, waste water constituent from the production of tetramethylthiuram monosulfide (TMTS), and alkyl amine, are presented in this work. Therefore, thioureas synthesis was developed in two ways: Method I - reaction of the thiocyanate and alkylamine in the presence of hydrochloric acid; Method II - reaction of the thiocyanate with benzoyl chloride following by amine addition in the first step, and base hydrolysis in the second step. The structure of the synthesized compounds was confirmed by IR, 1H and 13C NMR and MS instrumental methods, and purity was determined by high-performance liquid chromatography method. It is shown that the proposed methods offer a high degree of conversion and purity of product, absence of by-products and technological applicability at industrial scale. Considering importance of the tetramethylthiuram disulfide (TMTD) and TMTS as vulcanization accelerators as well as thiourea as the pharmacologically active compounds, it can be said that application of the optimized methods of thiourea synthesis will provide significant improvement in sustainable development and implementation of eco-friendly production technology. The described, environmentally benign process of thioureas synthesis, represent a suitable option to existing methods.

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34

Khawar Rauf, M., Amin Badshah, and Michael Bolte. "1-(2,3-Dimethylphenyl)-3-(2-methylbenzoyl)thiourea." Acta Crystallographica Section E Structure Reports Online 63, no. 3 (February 14, 2007): o1256—o1257. http://dx.doi.org/10.1107/s1600536807005582.

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The benzoyl and dimethylphenyl groups in the title compound, C17H18N2OS, are cis and trans, respectively, with respect to the C=S bond. The crystal packing is characterized by N—H...O and N—H...S hydrogen bonds.

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35

Jirman, Josef, and Antonín Lyčka. "15N, 13C, and 1H NMR spectra of acylated ureas and thioureas." Collection of Czechoslovak Chemical Communications 52, no. 10 (1987): 2474–81. http://dx.doi.org/10.1135/cccc19872474.

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A series of 1-acylated and 1,3-diacylated (acyl = acetyl or benzoyl) ureas and thioureas have been prepared and their proton-coupled and proton-decoupled 15N, 13C, and 1H NMR spectra have been measured. All the signals have been assigned. The 15N NMR chemical shifts in 1-acylated ureas and thioureas are shifted downfield as compared with δ(15N) of urea and thiourea, resp. This shift is greater for N-1 than for N-3 nitrogen atoms in both the series. When comparing acylureas and acylthioureas it is obvious from the Δδ(15N) differences that the CS group is better than CO group in transferring the electron-acceptor effect of acyl group. The proton-coupled 15N NMR spectra of the acylureas dissolved in hexadeuteriodimethyl sulphoxide exhibit a doublet of NH group and a triplet of NH2 group at 25 °C. At the same conditions the acylthioureas exhibit a doublet of NH group, the NH2 group signal being split into a doublet of doublets with different coupling constants 1J(15N, H). The greater one of these coupling constants is due to the s-trans proton with respect to the sulfur atom of the thiourea.

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36

ROSU, Tudor, VioreL CARCU, Maria NEGOIU, Ovidiu MAIOR, and Niculina BADICU. "SOME NEW N-BENZOYL-N-SUBSTITUTED PHENYL THIOUREA COMPLEXES OF COPPER(II)." SOUTHERN BRAZILIAN JOURNAL OF CHEMISTRY 5, no. 5 (December 20, 1997): 43–49. http://dx.doi.org/10.48141/sbjchem.v5.n5.1997.45_1997.pdf.

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The new N-benzoyl-N-substituted phenyl thiourea ligands have been used to p1·cpare copper(ll) complexes [Cu(L)2Cl2]. The novel complexes were characterized by ESR, IR, NIR, electronic spectroscopy and conductivity measurements, Tentative geometry of the complexes involves four-coordinate environments (tetrahedral distorted D2d) for the copper ion and a monodentate behavior for ligands. In all these complexes N, N-substituted thiourea is sulphur-bonded to the copper ion.

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37

Selvakumaran, N., M. Mary Sheeba, R. Karvembu, Seik Weng Ng, and Edward R. T. Tiekink. "1-Benzoyl-3-(4-chlorophenyl)thiourea dichloromethane hemisolvate." Acta Crystallographica Section E Structure Reports Online 68, no. 12 (November 10, 2012): o3313. http://dx.doi.org/10.1107/s1600536812045588.

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38

Ding, Yu-Jie, Jian Yao, Jian-Chao Wu, Wen-Kui Dong, and Jun-Feng Tong. "N-Benzoyl-N′-(2-chloro-3-pyridyl)thiourea." Acta Crystallographica Section E Structure Reports Online 65, no. 8 (July 18, 2009): o1903. http://dx.doi.org/10.1107/s1600536809027081.

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39

Woei Hung, Wong, and Mohammad B. Kassim. "1-Benzoyl-3-[4-(3-benzoylthioureido)phenyl]thiourea." Acta Crystallographica Section E Structure Reports Online 66, no. 12 (November 13, 2010): o3182. http://dx.doi.org/10.1107/s160053681004599x.

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40

Yesilkaynak, Tuncay, Ulrich Flörke, Nevzat Külcü, and Hakan Arslan. "1-Benzoyl-3-(4-methylpyridin-2-yl)thiourea." Acta Crystallographica Section E Structure Reports Online 62, no. 9 (August 18, 2006): o3934—o3935. http://dx.doi.org/10.1107/s1600536806032302.

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41

Gunasekaran, N., R. Karvembu, Seik Weng Ng, and Edward R. T. Tiekink. "1-Benzoyl-3,3-bis(propan-2-yl)thiourea." Acta Crystallographica Section E Structure Reports Online 66, no. 8 (July 24, 2010): o2113. http://dx.doi.org/10.1107/s1600536810028862.

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42

Yusof, M. Sukeri M., S. Kamilah C. Soh, Nurziana Ngah, and Bohari M. Yamin. "1-Benzoyl-3-(6-methylpyridin-2-yl)thiourea." Acta Crystallographica Section E Structure Reports Online 62, no. 4 (March 17, 2006): o1446—o1448. http://dx.doi.org/10.1107/s1600536806009366.

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The molecular structure of the title compound, C14H13N3OS, adopts a cis–trans configuration with respect to the positions of the benzoyl and 6-methylpyridin-2yl groups relative to the S atom across the thiourea C—N bonds. In the crystal structure, the molecules are linked by N—H...S, C—H...S and C—H...O interactions, forming a one-dimensional chain parallel to the b axis.

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43

Nurkenov, O. A., S. D. Fazylov, T. M. Seilkhanov, Zh Nurmaganbetov, A. M. Gazaliev, and G. Zh Karipova. "Synthesis and structure of thiourea derivatives of functionally substituted pyridines." Bulletin of the Karaganda University. "Chemistry" series 101, no. 1 (March 30, 2021): 4–11. http://dx.doi.org/10.31489/2021ch1/4-11.

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The article presents data on the synthesis and study of the structure of thiourea derivatives of functionally substituted pyridines. New thiourea derivatives containing a pharmacologically active pyridine moiety in their structure were obtained. As the starting synton, 2-amino-5-bromopyridine, 2-amino-3-hydroxypyridine and 2-aminomethylpyridine were selected. It was shown that the interaction of 2-amino-5-bromopyridine, 2-amino-3-hydroxypyridine and 2-aminomethylpyridine with ethyl and phenylisothiocyanates in ethanol leads to the formation of the corresponding pyridine-containing thioureas. The synthesis of the initial isothiocyanates was carriedout in situ from the corresponding acidic chlorides (benzoyl chloride and p-brombenzoyl chloride) by heating them with potassium thiocyanate in acetone. The structure of the synthe-sized compounds was studied by 1H and 13C NMR spectroscopy, as well as by the data of two-dimensional spectra of COSY (1H-1H) and HMQC (1H-13C). The values of chemical shifts, multiplicity, and integrated in-tensity of 1H and 13C signals in one-dimensional NMR spectra were determined. Using spectra in the formats COSY (1Н-1Н) and HMQC (1Н-13С), homo-and heteronuclear interactions were established, confirming the structure of the studied compounds.

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44

Hritzová, Oľga, and Dušan Koščík. "Hydrogen bonds in derivatives of N-substituted N’-benzoyl- and N’-(2-chlorobenzoyl)thiourea." Collection of Czechoslovak Chemical Communications 56, no. 4 (1991): 880–85. http://dx.doi.org/10.1135/cccc19910880.

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Intramolecular hydrogen bonds of the N-H···O=C type have been detected in the derivatives of N-substituted N’-benzoyl- and N’-(2-chlorobenzoyl)thiourea on the basis of IR spectral studies. The title compounds can exist in two tautomeric forms.

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45

Huang, Yao-Dong, Xue-Lin Dong, Li-Li Zhang, Wei Chai, and Ji-Young Chang. "Structure–property correlation of benzoyl thiourea derivatives as organogelators." Journal of Molecular Structure 1031 (January 2013): 43–48. http://dx.doi.org/10.1016/j.molstruc.2012.07.040.

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46

Jassas, Rabab Sharaf, Abdullah M. Asiri, Muhammad Nadeem Arshad, Mohie E. M. Zayed, and Ghulam Mustafa. "Crystal structure of 1-benzoyl-3-(4-fluorophenyl)thiourea." Acta Crystallographica Section E Structure Reports Online 70, no. 9 (August 16, 2014): o1023—o1024. http://dx.doi.org/10.1107/s1600536814018376.

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The title compound, C14H11FN2OS, contains two molecules (AandB) in the asymmetric unit, with different conformations. In moleculeA, the dihedral angles between the central thiourea grouping and the phenyl and fluorobenzene rings are 28.77 (8) and 41.82 (8)°, respectively, and the dihedral angle between the ring planes is 70.02 (9)°. Equivalent data for moleculeBare 8.46 (8), 47.78 (8) and 52.99 (9)°, respectively. Both molecules feature an intramolecular N—H...O hydrogen bond, which closes anS(6) ring. In the crystal,A+Bdimers linked by pairs of N—H...S hydrogen bonds generateR22(8) loops.

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47

Okuniewski, Andrzej, Damian Rosiak, Jarosław Chojnacki, and Barbara Becker. "Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea." Acta Crystallographica Section C Structural Chemistry 73, no. 1 (January 1, 2017): 52–56. http://dx.doi.org/10.1107/s2053229616019495.

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1-Benzoylthioureas contain both carbonyl and thiocarbonyl functional groups and are of interest for their biological activity, metal coordination ability and involvement in hydrogen-bond formation. Two novel 1-benzoylthiourea derivatives, namely 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea, C16H16N2O3S, (I), and 1-benzoyl-3-(2-hydroxypropyl)thiourea, C11H14N2O2S, (II), have been synthesized and characterized. Compound (I) crystallizes in the space group P\overline{1}, while (II) crystallizes in the space group P21/c. In both structures, intramolecular N—H...O hydrogen bonding is present. The resulting six-membered pseudo-rings are quasi-aromatic and, in each case, interact with phenyl rings via stacking-type interactions. C—H...O, C—H...S and C—H...π interactions are also present. In (I), there is one molecule in the asymmetric unit. Pairs of molecules are connected via two intermolecular N—H...S hydrogen bonds, forming centrosymmetric dimers. In (II), there are two symmetry-independent molecules that differ mainly in the relative orientations of the phenyl rings with respect to the thiourea cores. Additional strong hydrogen-bond donor and acceptor –OH groups participate in the formation of intermolecular N—H...O and O—H...S hydrogen bonds that join molecules into chains extending in the [001] direction.

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48

Quinn, RJ, and PJ Scammells. "4-Amino-1-phenylpyrazolo[3,4-d]pyrimidin-6(5h)-one, an Isoguanosine Analog." Australian Journal of Chemistry 44, no. 7 (1991): 1001. http://dx.doi.org/10.1071/ch9911001.

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5-Amino-1-phenylpyrazole-4-carboxamide was condensed with benzoyl isothiocyanate. The resulting thiourea was treated with dicyclohexylcarbodiimide and annulated with ethanolic ammonia to yield 4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6(5H)-one. This product is a 1-phenylpyrazolo[3,4-d] pyrimidine analogue of the biologically active natural product, isoguanosine.

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49

Kaválek, Jaromír, Vladimír Macháček, Miloš Sedlák, and Vojeslav Štěrba. "Study of Cyclization of 1-Benzoyl-3-methyl-3-(2-methoxycarbonylphenyl)thiourea to 1-Methyl-2-thioxo-4-quinazolone." Collection of Czechoslovak Chemical Communications 58, no. 5 (1993): 1122–32. http://dx.doi.org/10.1135/cccc19931122.

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The reaction mechanism of the title reaction was proposed on the bases of the kinetic study. The reaction takes place in two stages considerably differing in rates. In the first, faster stage, the anion of initial substance cyclizes to 1-methyl-3-benzoyl-2-thioxo-4-quinazolone. The reaction is reversible, the concentration of 1-methyl-3-benzoyl-2-thioxo-4-quinazolone decreases with increasing concentration of methanolate. In the second stage, the benzoyl group rearrangement in the given substance from nitrogen to sulfur and subsequent methanolysis to 1-methyl-2-thioxo-4-quinazolone take place. The rate-determining step is the methanolysis for [CH3O(-)] < 4 . 10-3 mol l-1 and the benzoyl group rearrangement for higher methanolate concentrations.

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50

Glotova, T. E., M. Yu Dvorko, A. I. Albanov, and N. I. Protsuk. "Reaction of N-(carbamimidoyl)thiourea with 1-benzoyl-2-phenylacetylene." Russian Journal of Organic Chemistry 43, no. 1 (January 2007): 121–25. http://dx.doi.org/10.1134/s1070428007010162.

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