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Crystal structure of 4-[(E)-(2-carbamothioylhydrazinylidene)methyl]benzoic acid
The title compound, C(9)H(9)N(3)O(2)S, is close to planar with an r.m.s. deviation of 0.032 Å. An intramolecular N—H⋯N hydrogen bond closes an S(5) ring. In the crystal, molecules are connected into inversion dimers of the R (2) (2)(8) type by pairs of O—H⋯O interactions. The dimers are further c...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647436/ https://www.ncbi.nlm.nih.gov/pubmed/26594471 http://dx.doi.org/10.1107/S2056989015017594 |
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author | Tahir, Muhammad Nawaz Anwar-ul-Haq, Muhammad Choudhary, Muhammad Aziz |
author_facet | Tahir, Muhammad Nawaz Anwar-ul-Haq, Muhammad Choudhary, Muhammad Aziz |
author_sort | Tahir, Muhammad Nawaz |
collection | PubMed |
description | The title compound, C(9)H(9)N(3)O(2)S, is close to planar with an r.m.s. deviation of 0.032 Å. An intramolecular N—H⋯N hydrogen bond closes an S(5) ring. In the crystal, molecules are connected into inversion dimers of the R (2) (2)(8) type by pairs of O—H⋯O interactions. The dimers are further connected by pairs of N—H⋯S interactions, which also complete R (2) (2)(8) ring motifs. The chains of dimers are cross-linked by N—H⋯O bonds and hence R (4) (2)(28) rings are completed. Taken together, these interactions lead to infinite sheets propagating in the (122) plane. |
format | Online Article Text |
id | pubmed-4647436 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-46474362015-11-20 Crystal structure of 4-[(E)-(2-carbamothioylhydrazinylidene)methyl]benzoic acid Tahir, Muhammad Nawaz Anwar-ul-Haq, Muhammad Choudhary, Muhammad Aziz Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(9)H(9)N(3)O(2)S, is close to planar with an r.m.s. deviation of 0.032 Å. An intramolecular N—H⋯N hydrogen bond closes an S(5) ring. In the crystal, molecules are connected into inversion dimers of the R (2) (2)(8) type by pairs of O—H⋯O interactions. The dimers are further connected by pairs of N—H⋯S interactions, which also complete R (2) (2)(8) ring motifs. The chains of dimers are cross-linked by N—H⋯O bonds and hence R (4) (2)(28) rings are completed. Taken together, these interactions lead to infinite sheets propagating in the (122) plane. International Union of Crystallography 2015-09-26 /pmc/articles/PMC4647436/ /pubmed/26594471 http://dx.doi.org/10.1107/S2056989015017594 Text en © Tahir et al. 2015 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 | Data Reports Tahir, Muhammad Nawaz Anwar-ul-Haq, Muhammad Choudhary, Muhammad Aziz Crystal structure of 4-[(E)-(2-carbamothioylhydrazinylidene)methyl]benzoic acid |
title | Crystal structure of 4-[(E)-(2-carbamothioylhydrazinylidene)methyl]benzoic acid |
title_full | Crystal structure of 4-[(E)-(2-carbamothioylhydrazinylidene)methyl]benzoic acid |
title_fullStr | Crystal structure of 4-[(E)-(2-carbamothioylhydrazinylidene)methyl]benzoic acid |
title_full_unstemmed | Crystal structure of 4-[(E)-(2-carbamothioylhydrazinylidene)methyl]benzoic acid |
title_short | Crystal structure of 4-[(E)-(2-carbamothioylhydrazinylidene)methyl]benzoic acid |
title_sort | crystal structure of 4-[(e)-(2-carbamothioylhydrazinylidene)methyl]benzoic acid |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647436/ https://www.ncbi.nlm.nih.gov/pubmed/26594471 http://dx.doi.org/10.1107/S2056989015017594 |
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