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Crystal structure of ethyl 2-cyano-3-[(1-eth­oxy­ethyl­idene)amino]-5-(3-meth­oxy­phen­yl)-7-methyl-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate

In the title compound, C(22)H(24)N(4)O(4)S, the central pyrimidine ring adopts a sofa conformation with the ring-junction N atom displaced by 0.2358 (6) Å from the mean plane of the remaining ring atoms. The 3-meth­oxy­phenyl ring, at the chiral C atom opposite the other N atom, is positioned axiall...

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Autores principales: Krishnamurthy, M. S., 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/PMC4438835/
https://www.ncbi.nlm.nih.gov/pubmed/26029443
http://dx.doi.org/10.1107/S2056989015005241
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author Krishnamurthy, M. S.
Begum, Noor Shahina
author_facet Krishnamurthy, M. S.
Begum, Noor Shahina
author_sort Krishnamurthy, M. S.
collection PubMed
description In the title compound, C(22)H(24)N(4)O(4)S, the central pyrimidine ring adopts a sofa conformation with the ring-junction N atom displaced by 0.2358 (6) Å from the mean plane of the remaining ring atoms. The 3-meth­oxy­phenyl ring, at the chiral C atom opposite the other N atom, is positioned axially and is inclined to the thia­zolo­pyrimidine ring with a dihedral angle of 83.88 (7)°. The thia­zole ring is essentially planar (r.m.s. deviation = 0.0034 Å). In the crystal, pairs of weak C—H⋯O hydrogen bonds link mol­ecules related by twofold rotation axes to form R (2) (2)(8) rings, which in turn are linked by weak C—H⋯N inter­actions, forming ribbons along [-110]. In addition, π–π stacking inter­actions [centroid—centroid distance = 3.5744 (15) Å] connect the ribbons, forming slabs lying parallel to (001).
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spelling pubmed-44388352015-05-30 Crystal structure of ethyl 2-cyano-3-[(1-eth­oxy­ethyl­idene)amino]-5-(3-meth­oxy­phen­yl)-7-methyl-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate Krishnamurthy, M. S. Begum, Noor Shahina Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(22)H(24)N(4)O(4)S, the central pyrimidine ring adopts a sofa conformation with the ring-junction N atom displaced by 0.2358 (6) Å from the mean plane of the remaining ring atoms. The 3-meth­oxy­phenyl ring, at the chiral C atom opposite the other N atom, is positioned axially and is inclined to the thia­zolo­pyrimidine ring with a dihedral angle of 83.88 (7)°. The thia­zole ring is essentially planar (r.m.s. deviation = 0.0034 Å). In the crystal, pairs of weak C—H⋯O hydrogen bonds link mol­ecules related by twofold rotation axes to form R (2) (2)(8) rings, which in turn are linked by weak C—H⋯N inter­actions, forming ribbons along [-110]. In addition, π–π stacking inter­actions [centroid—centroid distance = 3.5744 (15) Å] connect the ribbons, forming slabs lying parallel to (001). International Union of Crystallography 2015-03-25 /pmc/articles/PMC4438835/ /pubmed/26029443 http://dx.doi.org/10.1107/S2056989015005241 Text en © Krishnamurthy and Begum 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.
Begum, Noor Shahina
Crystal structure of ethyl 2-cyano-3-[(1-eth­oxy­ethyl­idene)amino]-5-(3-meth­oxy­phen­yl)-7-methyl-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate
title Crystal structure of ethyl 2-cyano-3-[(1-eth­oxy­ethyl­idene)amino]-5-(3-meth­oxy­phen­yl)-7-methyl-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate
title_full Crystal structure of ethyl 2-cyano-3-[(1-eth­oxy­ethyl­idene)amino]-5-(3-meth­oxy­phen­yl)-7-methyl-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate
title_fullStr Crystal structure of ethyl 2-cyano-3-[(1-eth­oxy­ethyl­idene)amino]-5-(3-meth­oxy­phen­yl)-7-methyl-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate
title_full_unstemmed Crystal structure of ethyl 2-cyano-3-[(1-eth­oxy­ethyl­idene)amino]-5-(3-meth­oxy­phen­yl)-7-methyl-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate
title_short Crystal structure of ethyl 2-cyano-3-[(1-eth­oxy­ethyl­idene)amino]-5-(3-meth­oxy­phen­yl)-7-methyl-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate
title_sort crystal structure of ethyl 2-cyano-3-[(1-eth­oxy­ethyl­idene)amino]-5-(3-meth­oxy­phen­yl)-7-methyl-5h-1,3-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438835/
https://www.ncbi.nlm.nih.gov/pubmed/26029443
http://dx.doi.org/10.1107/S2056989015005241
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