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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...

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Autores principales: Krishnamurthy, M. S., Prasad, N. L., Nagarajaiah, H., Begum, Noor Shahina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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