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Crystal structure of ethyl 2-(2-fluoro­benzyl­idene)-5-(4-fluoro­phen­yl)-7-methyl-3-oxo-2,3-di­hydro-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carb­oxy­late

In the title mol­ecule, C(23)H(18)F(2)N(2)O(3)S, the 4-fluoro-substituted and 2-fluoro-substituted benzene rings form dihedral angles of 88.16 (8) and 23.1 (1)°, respectively, with the thia­zole ring. The pyrimidine ring adopts a flattened sofa conformation with the sp (3)-hydridized C atom forming...

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Autores principales: Krishnamurthy, M. S., Begum, Noor Shahina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257371/
https://www.ncbi.nlm.nih.gov/pubmed/25553039
http://dx.doi.org/10.1107/S1600536814025008
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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 mol­ecule, C(23)H(18)F(2)N(2)O(3)S, the 4-fluoro-substituted and 2-fluoro-substituted benzene rings form dihedral angles of 88.16 (8) and 23.1 (1)°, respectively, with the thia­zole ring. The pyrimidine ring adopts a flattened sofa conformation with the sp (3)-hydridized C atom forming the flap. In the crystal, pairs of weak C—H⋯O hydrogen bonds link mol­ecules related by twofold rotation axes, forming R (2) (2)(10) rings, which are in turn linked by weak C—H⋯N inter­actions to form chains of rings along [010]. In addition, weak C—H⋯π(arene) inter­actions link the chains into layers parallel to (001) and π–π inter­actions with a centroid–centroid distance of 3.836 (10) Å connect these layers into a three-dimensional network.
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spelling pubmed-42573712014-12-31 Crystal structure of ethyl 2-(2-fluoro­benzyl­idene)-5-(4-fluoro­phen­yl)-7-methyl-3-oxo-2,3-di­hydro-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carb­oxy­late Krishnamurthy, M. S. Begum, Noor Shahina Acta Crystallogr Sect E Struct Rep Online Data Reports In the title mol­ecule, C(23)H(18)F(2)N(2)O(3)S, the 4-fluoro-substituted and 2-fluoro-substituted benzene rings form dihedral angles of 88.16 (8) and 23.1 (1)°, respectively, with the thia­zole ring. The pyrimidine ring adopts a flattened sofa conformation with the sp (3)-hydridized C atom forming the flap. In the crystal, pairs of weak C—H⋯O hydrogen bonds link mol­ecules related by twofold rotation axes, forming R (2) (2)(10) rings, which are in turn linked by weak C—H⋯N inter­actions to form chains of rings along [010]. In addition, weak C—H⋯π(arene) inter­actions link the chains into layers parallel to (001) and π–π inter­actions with a centroid–centroid distance of 3.836 (10) Å connect these layers into a three-dimensional network. International Union of Crystallography 2014-11-19 /pmc/articles/PMC4257371/ /pubmed/25553039 http://dx.doi.org/10.1107/S1600536814025008 Text en © Krishnamurthy and Begum 2014 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-(2-fluoro­benzyl­idene)-5-(4-fluoro­phen­yl)-7-methyl-3-oxo-2,3-di­hydro-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carb­oxy­late
title Crystal structure of ethyl 2-(2-fluoro­benzyl­idene)-5-(4-fluoro­phen­yl)-7-methyl-3-oxo-2,3-di­hydro-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carb­oxy­late
title_full Crystal structure of ethyl 2-(2-fluoro­benzyl­idene)-5-(4-fluoro­phen­yl)-7-methyl-3-oxo-2,3-di­hydro-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carb­oxy­late
title_fullStr Crystal structure of ethyl 2-(2-fluoro­benzyl­idene)-5-(4-fluoro­phen­yl)-7-methyl-3-oxo-2,3-di­hydro-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carb­oxy­late
title_full_unstemmed Crystal structure of ethyl 2-(2-fluoro­benzyl­idene)-5-(4-fluoro­phen­yl)-7-methyl-3-oxo-2,3-di­hydro-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carb­oxy­late
title_short Crystal structure of ethyl 2-(2-fluoro­benzyl­idene)-5-(4-fluoro­phen­yl)-7-methyl-3-oxo-2,3-di­hydro-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carb­oxy­late
title_sort crystal structure of ethyl 2-(2-fluoro­benzyl­idene)-5-(4-fluoro­phen­yl)-7-methyl-3-oxo-2,3-di­hydro-5h-1,3-thia­zolo[3,2-a]pyrimidine-6-carb­oxy­late
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257371/
https://www.ncbi.nlm.nih.gov/pubmed/25553039
http://dx.doi.org/10.1107/S1600536814025008
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