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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...

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Autores principales: Sharma, Preetika, Subbulakshmi, K. N., Narayana, B., Byrappa, K., Kant, Rajni
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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