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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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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. |
format | Text |
id | pubmed-2961513 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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