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Crystal structure of ethyl 5-acetyl-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate
In the title thiophene derivative, C(13)H(18)N(2)O(3)S, the dihedral angles between the thiophene ring and the [(dimethylamino)methylidene]amino side chain (r.m.s. deviation = 0.009 Å) and the –CO(2) ester group are 3.01 (16) and 59.9 (3)°, respectively. In the crystal, inversion dimers linked...
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/PMC4647409/ https://www.ncbi.nlm.nih.gov/pubmed/26594465 http://dx.doi.org/10.1107/S2056989015016217 |
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author | Prasad, N. L. Krishnamurthy, M. S. Nagarajaiah, H. Begum, Noor Shahina |
author_facet | Prasad, N. L. Krishnamurthy, M. S. Nagarajaiah, H. Begum, Noor Shahina |
author_sort | Prasad, N. L. |
collection | PubMed |
description | In the title thiophene derivative, C(13)H(18)N(2)O(3)S, the dihedral angles between the thiophene ring and the [(dimethylamino)methylidene]amino side chain (r.m.s. deviation = 0.009 Å) and the –CO(2) ester group are 3.01 (16) and 59.9 (3)°, respectively. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate R (2) (2)(16) loops. The dimers are linked by another weak C—H⋯O interaction, forming chains along [001]. In addition, weak C—H⋯π interactions are observed, which link the chains into (001) layers. |
format | Online Article Text |
id | pubmed-4647409 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-46474092015-11-20 Crystal structure of ethyl 5-acetyl-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate Prasad, N. L. Krishnamurthy, M. S. Nagarajaiah, H. Begum, Noor Shahina Acta Crystallogr E Crystallogr Commun Data Reports In the title thiophene derivative, C(13)H(18)N(2)O(3)S, the dihedral angles between the thiophene ring and the [(dimethylamino)methylidene]amino side chain (r.m.s. deviation = 0.009 Å) and the –CO(2) ester group are 3.01 (16) and 59.9 (3)°, respectively. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate R (2) (2)(16) loops. The dimers are linked by another weak C—H⋯O interaction, forming chains along [001]. In addition, weak C—H⋯π interactions are observed, which link the chains into (001) layers. International Union of Crystallography 2015-09-17 /pmc/articles/PMC4647409/ /pubmed/26594465 http://dx.doi.org/10.1107/S2056989015016217 Text en © Prasad 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 Prasad, N. L. Krishnamurthy, M. S. Nagarajaiah, H. Begum, Noor Shahina Crystal structure of ethyl 5-acetyl-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate |
title | Crystal structure of ethyl 5-acetyl-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate |
title_full | Crystal structure of ethyl 5-acetyl-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate |
title_fullStr | Crystal structure of ethyl 5-acetyl-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate |
title_full_unstemmed | Crystal structure of ethyl 5-acetyl-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate |
title_short | Crystal structure of ethyl 5-acetyl-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate |
title_sort | crystal structure of ethyl 5-acetyl-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647409/ https://www.ncbi.nlm.nih.gov/pubmed/26594465 http://dx.doi.org/10.1107/S2056989015016217 |
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