Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-5-carbox­ylate

The asymmetric unit of the title compound, C(16)H(17)FN(2)O(4)S, contains three independent mol­ecules, in which the pyrimidine and benzene rings are oriented at dihedral angles of 41.72 (3)°, 26.21 (3)° and 36.49 (3)°. Intra­molecular C—H⋯O hydrogen bonds result in the formation of two six- and one...

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Detalles Bibliográficos
Autores principales: He, Wei, Sun, Hong-Shun, Ji, Chun-Xiang, Yang, Dong-Ling, Guo, Cheng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961453/
https://www.ncbi.nlm.nih.gov/pubmed/21202638
http://dx.doi.org/10.1107/S1600536808013536
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author He, Wei
Sun, Hong-Shun
Ji, Chun-Xiang
Yang, Dong-Ling
Guo, Cheng
author_facet He, Wei
Sun, Hong-Shun
Ji, Chun-Xiang
Yang, Dong-Ling
Guo, Cheng
author_sort He, Wei
collection PubMed
description The asymmetric unit of the title compound, C(16)H(17)FN(2)O(4)S, contains three independent mol­ecules, in which the pyrimidine and benzene rings are oriented at dihedral angles of 41.72 (3)°, 26.21 (3)° and 36.49 (3)°. Intra­molecular C—H⋯O hydrogen bonds result in the formation of two six- and one seven-membered non-planar rings, which have have twist conformations. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules.
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spelling pubmed-29614532010-12-30 Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-5-carbox­ylate He, Wei Sun, Hong-Shun Ji, Chun-Xiang Yang, Dong-Ling Guo, Cheng Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(16)H(17)FN(2)O(4)S, contains three independent mol­ecules, in which the pyrimidine and benzene rings are oriented at dihedral angles of 41.72 (3)°, 26.21 (3)° and 36.49 (3)°. Intra­molecular C—H⋯O hydrogen bonds result in the formation of two six- and one seven-membered non-planar rings, which have have twist conformations. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules. International Union of Crystallography 2008-05-21 /pmc/articles/PMC2961453/ /pubmed/21202638 http://dx.doi.org/10.1107/S1600536808013536 Text en © He et al. 2008 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 Organic Papers
He, Wei
Sun, Hong-Shun
Ji, Chun-Xiang
Yang, Dong-Ling
Guo, Cheng
Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-5-carbox­ylate
title Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-5-carbox­ylate
title_full Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-5-carbox­ylate
title_fullStr Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-5-carbox­ylate
title_full_unstemmed Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-5-carbox­ylate
title_short Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-5-carbox­ylate
title_sort methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-5-carbox­ylate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961453/
https://www.ncbi.nlm.nih.gov/pubmed/21202638
http://dx.doi.org/10.1107/S1600536808013536
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AT jichunxiang methyl44fluorophenyl6isopropyl2methylsulfonylpyrimidine5carboxylate
AT yangdongling methyl44fluorophenyl6isopropyl2methylsulfonylpyrimidine5carboxylate
AT guocheng methyl44fluorophenyl6isopropyl2methylsulfonylpyrimidine5carboxylate

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