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Crystal structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one
The asymmetric unit of the title compound, C(9)H(7)NO(2)S, contains two crystallographically independent molecules (A and B). Both molecules are almost planar [maximum deviations = 0.047 (1) and 0.090 (1) Å, respectively, for the S atoms] with the oxazole and thiophene rings being inclined to one...
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/PMC4384586/ https://www.ncbi.nlm.nih.gov/pubmed/25878864 http://dx.doi.org/10.1107/S2056989015000833 |
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author | Sharma, Preetika Subbulakshmi, K. N. Narayana, B. Byrappa, K. Kant, Rajni |
author_facet | Sharma, Preetika Subbulakshmi, K. N. Narayana, B. Byrappa, K. Kant, Rajni |
author_sort | Sharma, Preetika |
collection | PubMed |
description | The asymmetric unit of the title compound, C(9)H(7)NO(2)S, contains two crystallographically independent molecules (A and B). Both molecules are almost planar [maximum deviations = 0.047 (1) and 0.090 (1) Å, respectively, for the S atoms] with the oxazole and thiophene rings being inclined to one another by 2.65 (16)° in molecule A and by 4.55 (15)° in molecule B. In the crystal, the individual molecules are linked via C—H⋯O hydrogen bonds, forming –A–B–A–B– chains along the [10-1] direction. The chains are linked via C—H⋯π and π–π interactions [intercentroid distances = 3.767 (2) and 3.867 (2) Å] involving inversion-related oxazole and thiophene rings in both molecules, forming a three-dimensional structure. |
format | Online Article Text |
id | pubmed-4384586 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43845862015-04-15 Crystal structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one Sharma, Preetika Subbulakshmi, K. N. Narayana, B. Byrappa, K. Kant, Rajni Acta Crystallogr E Crystallogr Commun Data Reports The asymmetric unit of the title compound, C(9)H(7)NO(2)S, contains two crystallographically independent molecules (A and B). Both molecules are almost planar [maximum deviations = 0.047 (1) and 0.090 (1) Å, respectively, for the S atoms] with the oxazole and thiophene rings being inclined to one another by 2.65 (16)° in molecule A and by 4.55 (15)° in molecule B. In the crystal, the individual molecules are linked via C—H⋯O hydrogen bonds, forming –A–B–A–B– chains along the [10-1] direction. The chains are linked via C—H⋯π and π–π interactions [intercentroid distances = 3.767 (2) and 3.867 (2) Å] involving inversion-related oxazole and thiophene rings in both molecules, forming a three-dimensional structure. International Union of Crystallography 2015-01-21 /pmc/articles/PMC4384586/ /pubmed/25878864 http://dx.doi.org/10.1107/S2056989015000833 Text en © Sharma 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 Sharma, Preetika Subbulakshmi, K. N. Narayana, B. Byrappa, K. Kant, Rajni Crystal structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one |
title | Crystal structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one |
title_full | Crystal structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one |
title_fullStr | Crystal structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one |
title_full_unstemmed | Crystal structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one |
title_short | Crystal structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one |
title_sort | crystal structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4h)-one |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384586/ https://www.ncbi.nlm.nih.gov/pubmed/25878864 http://dx.doi.org/10.1107/S2056989015000833 |
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