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Crystal structure of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide
The title compound, C(9)H(8)N(2)O(2)S(3), crystallizes with two molecules (A and B) in the asymmetric unit. Both have similar conformations (overlay r.m.s. deviation = 0.209 Å) and are linked by an N—H⋯O hydrogen bond. In both molecules, the thiophene rings show orientational disorder, with occup...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458320/ https://www.ncbi.nlm.nih.gov/pubmed/28638655 http://dx.doi.org/10.1107/S2056989017007629 |
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author | Vu Quoc, Trung Nguyen Ngoc, Linh Nguyen Tien, Cong Thang Pham, Chien Van Meervelt, Luc |
author_facet | Vu Quoc, Trung Nguyen Ngoc, Linh Nguyen Tien, Cong Thang Pham, Chien Van Meervelt, Luc |
author_sort | Vu Quoc, Trung |
collection | PubMed |
description | The title compound, C(9)H(8)N(2)O(2)S(3), crystallizes with two molecules (A and B) in the asymmetric unit. Both have similar conformations (overlay r.m.s. deviation = 0.209 Å) and are linked by an N—H⋯O hydrogen bond. In both molecules, the thiophene rings show orientational disorder, with occupancy factors of 0.6727 (17) and 0.3273 (17) for molecule A, and 0.7916 (19) and 0.2084 (19) for molecule B. The five-membered rings make an angle of 79.7 (2)° in molecule A and an angle of 66.8 (2)° in molecule B. In the crystal, chains of molecules running along the a-axis direction are linked by N—H⋯O hydrogen bonds. The interaction of adjacent chains through N—H⋯O hydrogen bonds leads to two types of ring structures containing four molecules and described by the graph-set motifs R (4) (4)(18) and R (4) (2)(14). |
format | Online Article Text |
id | pubmed-5458320 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-54583202017-06-21 Crystal structure of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide Vu Quoc, Trung Nguyen Ngoc, Linh Nguyen Tien, Cong Thang Pham, Chien Van Meervelt, Luc Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(9)H(8)N(2)O(2)S(3), crystallizes with two molecules (A and B) in the asymmetric unit. Both have similar conformations (overlay r.m.s. deviation = 0.209 Å) and are linked by an N—H⋯O hydrogen bond. In both molecules, the thiophene rings show orientational disorder, with occupancy factors of 0.6727 (17) and 0.3273 (17) for molecule A, and 0.7916 (19) and 0.2084 (19) for molecule B. The five-membered rings make an angle of 79.7 (2)° in molecule A and an angle of 66.8 (2)° in molecule B. In the crystal, chains of molecules running along the a-axis direction are linked by N—H⋯O hydrogen bonds. The interaction of adjacent chains through N—H⋯O hydrogen bonds leads to two types of ring structures containing four molecules and described by the graph-set motifs R (4) (4)(18) and R (4) (2)(14). International Union of Crystallography 2017-05-31 /pmc/articles/PMC5458320/ /pubmed/28638655 http://dx.doi.org/10.1107/S2056989017007629 Text en © Vu Quoc et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Vu Quoc, Trung Nguyen Ngoc, Linh Nguyen Tien, Cong Thang Pham, Chien Van Meervelt, Luc Crystal structure of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide |
title | Crystal structure of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide |
title_full | Crystal structure of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide |
title_fullStr | Crystal structure of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide |
title_full_unstemmed | Crystal structure of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide |
title_short | Crystal structure of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide |
title_sort | crystal structure of n-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458320/ https://www.ncbi.nlm.nih.gov/pubmed/28638655 http://dx.doi.org/10.1107/S2056989017007629 |
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