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Crystal structure of 3-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea
In the asymmetric unit of the title compound, C(16)H(17)N(3)O(2)S, there are two independent molecules (A and B), which show an E conformation with respect to the C=N bond. An intramolecular O—H⋯N hydrogen bond with an S(6) motif stabilizes the molecular structure. The terminal phenyl and benzene...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908537/ https://www.ncbi.nlm.nih.gov/pubmed/27308000 http://dx.doi.org/10.1107/S2056989016005326 |
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author | Gangadharan, Rajeswari Muralisankar, Mathiyan Sreekanth, Anandaram Rahman, Abdullakutty Anees Sethusankar, K. |
author_facet | Gangadharan, Rajeswari Muralisankar, Mathiyan Sreekanth, Anandaram Rahman, Abdullakutty Anees Sethusankar, K. |
author_sort | Gangadharan, Rajeswari |
collection | PubMed |
description | In the asymmetric unit of the title compound, C(16)H(17)N(3)O(2)S, there are two independent molecules (A and B), which show an E conformation with respect to the C=N bond. An intramolecular O—H⋯N hydrogen bond with an S(6) motif stabilizes the molecular structure. The terminal phenyl and benzene rings are almost orthogonal to each other, the dihedral angle being 87.47 (13)° for molecule A and 89.86 (17)° for molecule B. In the crystal, weak bifurcated N—H⋯(O,O) hydrogen bonds link the two independent molecules, forming a supramolecular chain with a C (2) (1)(14)[R (2) (1)(5)] motif along the b axis. A weak C—H⋯O interaction is also observed in the chain. |
format | Online Article Text |
id | pubmed-4908537 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-49085372016-06-15 Crystal structure of 3-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea Gangadharan, Rajeswari Muralisankar, Mathiyan Sreekanth, Anandaram Rahman, Abdullakutty Anees Sethusankar, K. Acta Crystallogr E Crystallogr Commun Research Communications In the asymmetric unit of the title compound, C(16)H(17)N(3)O(2)S, there are two independent molecules (A and B), which show an E conformation with respect to the C=N bond. An intramolecular O—H⋯N hydrogen bond with an S(6) motif stabilizes the molecular structure. The terminal phenyl and benzene rings are almost orthogonal to each other, the dihedral angle being 87.47 (13)° for molecule A and 89.86 (17)° for molecule B. In the crystal, weak bifurcated N—H⋯(O,O) hydrogen bonds link the two independent molecules, forming a supramolecular chain with a C (2) (1)(14)[R (2) (1)(5)] motif along the b axis. A weak C—H⋯O interaction is also observed in the chain. International Union of Crystallography 2016-04-05 /pmc/articles/PMC4908537/ /pubmed/27308000 http://dx.doi.org/10.1107/S2056989016005326 Text en © Gangadharan et al. 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Gangadharan, Rajeswari Muralisankar, Mathiyan Sreekanth, Anandaram Rahman, Abdullakutty Anees Sethusankar, K. Crystal structure of 3-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea |
title | Crystal structure of 3-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea |
title_full | Crystal structure of 3-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea |
title_fullStr | Crystal structure of 3-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea |
title_full_unstemmed | Crystal structure of 3-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea |
title_short | Crystal structure of 3-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea |
title_sort | crystal structure of 3-[(e)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908537/ https://www.ncbi.nlm.nih.gov/pubmed/27308000 http://dx.doi.org/10.1107/S2056989016005326 |
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