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Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-[N-methyl-N-(methylsulfonyl)amino]­pyrimidine-5-carboxyl­ate

In the mol­ecule of the title compound, C(17)H(20)FN(3)O(4)S, the pyrimidine and benzene rings are oriented at a dihedral angle of 35.59 (3)°. Intra­molecular C—H⋯N and C—H⋯O hydrogen bonds result in the formation of one five- and two six-membered non-planar rings. One of the six-membered rings adop...

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Autores principales: He, Wei, Yang, Dong-Ling, Cui, Yong-Tao, Xu, Ye-Ming, Guo, Cheng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961513/
https://www.ncbi.nlm.nih.gov/pubmed/21202637
http://dx.doi.org/10.1107/S1600536808013524
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author He, Wei
Yang, Dong-Ling
Cui, Yong-Tao
Xu, Ye-Ming
Guo, Cheng
author_facet He, Wei
Yang, Dong-Ling
Cui, Yong-Tao
Xu, Ye-Ming
Guo, Cheng
author_sort He, Wei
collection PubMed
description In the mol­ecule of the title compound, C(17)H(20)FN(3)O(4)S, the pyrimidine and benzene rings are oriented at a dihedral angle of 35.59 (3)°. Intra­molecular C—H⋯N and C—H⋯O hydrogen bonds result in the formation of one five- and two six-membered non-planar rings. One of the six-membered rings adopts a chair conformation, while the other six-membered ring and the five-membered ring exhibit envelope conformations with O and N atoms displaced by 0.837 (3) and 0.152 (3) Å, respectively from the planes of the other ring atoms. In the crystal structure, inter­molecular C—H⋯F hydrogen bonds link the mol­ecules into infinite chains.
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spelling pubmed-29615132010-12-30 Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-[N-methyl-N-(methylsulfonyl)amino]­pyrimidine-5-carboxyl­ate He, Wei Yang, Dong-Ling Cui, Yong-Tao Xu, Ye-Ming Guo, Cheng Acta Crystallogr Sect E Struct Rep Online Organic Papers In the mol­ecule of the title compound, C(17)H(20)FN(3)O(4)S, the pyrimidine and benzene rings are oriented at a dihedral angle of 35.59 (3)°. Intra­molecular C—H⋯N and C—H⋯O hydrogen bonds result in the formation of one five- and two six-membered non-planar rings. One of the six-membered rings adopts a chair conformation, while the other six-membered ring and the five-membered ring exhibit envelope conformations with O and N atoms displaced by 0.837 (3) and 0.152 (3) Å, respectively from the planes of the other ring atoms. In the crystal structure, inter­molecular C—H⋯F hydrogen bonds link the mol­ecules into infinite chains. International Union of Crystallography 2008-05-21 /pmc/articles/PMC2961513/ /pubmed/21202637 http://dx.doi.org/10.1107/S1600536808013524 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
Yang, Dong-Ling
Cui, Yong-Tao
Xu, Ye-Ming
Guo, Cheng
Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-[N-methyl-N-(methylsulfonyl)amino]­pyrimidine-5-carboxyl­ate
title Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-[N-methyl-N-(methylsulfonyl)amino]­pyrimidine-5-carboxyl­ate
title_full Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-[N-methyl-N-(methylsulfonyl)amino]­pyrimidine-5-carboxyl­ate
title_fullStr Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-[N-methyl-N-(methylsulfonyl)amino]­pyrimidine-5-carboxyl­ate
title_full_unstemmed Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-[N-methyl-N-(methylsulfonyl)amino]­pyrimidine-5-carboxyl­ate
title_short Methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-[N-methyl-N-(methylsulfonyl)amino]­pyrimidine-5-carboxyl­ate
title_sort methyl 4-(4-fluoro­phen­yl)-6-isopropyl-2-[n-methyl-n-(methylsulfonyl)amino]­pyrimidine-5-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961513/
https://www.ncbi.nlm.nih.gov/pubmed/21202637
http://dx.doi.org/10.1107/S1600536808013524
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