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Crystal structure of methyl 4-(2-fluoro­phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra­hydro­pyrimidine-5-carb­oxy­late

In the title compound, C(13)H(13)FN(2)O(2)S, the pyrimidine ring adopts a twist-boat conformation with the MeCN and methine-C atoms displaced by 0.0938 (6) and 0.2739 (3) Å, respectively, from the mean plane through the other four atoms of the ring. The 2-fluoro­benzene ring is positioned axially an...

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Detalles Bibliográficos
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/PMC4645072/
https://www.ncbi.nlm.nih.gov/pubmed/26594554
http://dx.doi.org/10.1107/S2056989015018873
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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(13)H(13)FN(2)O(2)S, the pyrimidine ring adopts a twist-boat conformation with the MeCN and methine-C atoms displaced by 0.0938 (6) and 0.2739 (3) Å, respectively, from the mean plane through the other four atoms of the ring. The 2-fluoro­benzene ring is positioned axially and forms a dihedral angle of 89.13 (4)° with the mean plane through the pyrimidine ring. The crystal structure features N—H⋯O, N—H⋯S and C—H⋯O hydrogen bonds that link mol­ecules into supra­molecular chains along the b axis. These chains are linked into a layer parallel to (10-1) by C—H⋯π inter­actions; layers stack with no specific inter­actions between them.
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spelling pubmed-46450722015-11-20 Crystal structure of methyl 4-(2-fluoro­phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra­hydro­pyrimidine-5-carb­oxy­late Krishnamurthy, M. S. Begum, Noor Shahina Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(13)H(13)FN(2)O(2)S, the pyrimidine ring adopts a twist-boat conformation with the MeCN and methine-C atoms displaced by 0.0938 (6) and 0.2739 (3) Å, respectively, from the mean plane through the other four atoms of the ring. The 2-fluoro­benzene ring is positioned axially and forms a dihedral angle of 89.13 (4)° with the mean plane through the pyrimidine ring. The crystal structure features N—H⋯O, N—H⋯S and C—H⋯O hydrogen bonds that link mol­ecules into supra­molecular chains along the b axis. These chains are linked into a layer parallel to (10-1) by C—H⋯π inter­actions; layers stack with no specific inter­actions between them. International Union of Crystallography 2015-10-14 /pmc/articles/PMC4645072/ /pubmed/26594554 http://dx.doi.org/10.1107/S2056989015018873 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 methyl 4-(2-fluoro­phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra­hydro­pyrimidine-5-carb­oxy­late
title Crystal structure of methyl 4-(2-fluoro­phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra­hydro­pyrimidine-5-carb­oxy­late
title_full Crystal structure of methyl 4-(2-fluoro­phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra­hydro­pyrimidine-5-carb­oxy­late
title_fullStr Crystal structure of methyl 4-(2-fluoro­phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra­hydro­pyrimidine-5-carb­oxy­late
title_full_unstemmed Crystal structure of methyl 4-(2-fluoro­phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra­hydro­pyrimidine-5-carb­oxy­late
title_short Crystal structure of methyl 4-(2-fluoro­phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra­hydro­pyrimidine-5-carb­oxy­late
title_sort crystal structure of methyl 4-(2-fluoro­phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra­hydro­pyrimidine-5-carb­oxy­late
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645072/
https://www.ncbi.nlm.nih.gov/pubmed/26594554
http://dx.doi.org/10.1107/S2056989015018873
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