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Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate
In the title compound, C(16)H(23)N(3)O(3)S, the dihedral angles between the thiophene ring and the almost planar dimethylamino-methyleneamino (r.m.s. deviation = 0.005 Å) and dimethylamino-acryloyl (r.m.s. deviation = 0.033 Å) substituents are 6.99 (8) and 6.69 (7)°, respectively. The ester 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/PMC4719874/ https://www.ncbi.nlm.nih.gov/pubmed/26870521 http://dx.doi.org/10.1107/S2056989015018885 |
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author | Krishnamurthy, M. S. Prasad, N. L. Nagarajaiah, H. Begum, Noor Shahina |
author_facet | Krishnamurthy, M. S. Prasad, N. L. Nagarajaiah, H. Begum, Noor Shahina |
author_sort | Krishnamurthy, M. S. |
collection | PubMed |
description | In the title compound, C(16)H(23)N(3)O(3)S, the dihedral angles between the thiophene ring and the almost planar dimethylamino-methyleneamino (r.m.s. deviation = 0.005 Å) and dimethylamino-acryloyl (r.m.s. deviation = 0.033 Å) substituents are 6.99 (8) and 6.69 (7)°, respectively. The ester CO(2) group subtends a dihedral angle of 44.92 (18)° with the thiophene ring. An intramolecular C—H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate R (2) (2)(14) loops. In addition, a weak C—H⋯π interaction is observed. |
format | Online Article Text |
id | pubmed-4719874 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47198742016-02-11 Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate Krishnamurthy, M. S. Prasad, N. L. Nagarajaiah, H. Begum, Noor Shahina Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(16)H(23)N(3)O(3)S, the dihedral angles between the thiophene ring and the almost planar dimethylamino-methyleneamino (r.m.s. deviation = 0.005 Å) and dimethylamino-acryloyl (r.m.s. deviation = 0.033 Å) substituents are 6.99 (8) and 6.69 (7)°, respectively. The ester CO(2) group subtends a dihedral angle of 44.92 (18)° with the thiophene ring. An intramolecular C—H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate R (2) (2)(14) loops. In addition, a weak C—H⋯π interaction is observed. International Union of Crystallography 2015-11-04 /pmc/articles/PMC4719874/ /pubmed/26870521 http://dx.doi.org/10.1107/S2056989015018885 Text en © Krishnamurthy 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 Krishnamurthy, M. S. Prasad, N. L. Nagarajaiah, H. Begum, Noor Shahina Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate |
title | Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate |
title_full | Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate |
title_fullStr | Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate |
title_full_unstemmed | Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate |
title_short | Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate |
title_sort | crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719874/ https://www.ncbi.nlm.nih.gov/pubmed/26870521 http://dx.doi.org/10.1107/S2056989015018885 |
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