Methyl 4-[N-(5-bromo­pyrimidin-2-yl)carbamo­yl]benzoate

In the title compound, C(13)H(10)BrN(3)O(3), the pyrimidine and benzene rings are twisted with an inter­planar angle of 58.4 (1)°. The secondary amide group adopts a cis conformation with an H—N—C—O torsion angle of 14.8 (1)°. In the crystal, mol­ecules are connected into inversion dimers via pairs...

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Autores principales: Hu, Hui-Ling, Wu, Chia-Jun, Yeh, Chun-Wei, Chen, Jhy-Der
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414950/
https://www.ncbi.nlm.nih.gov/pubmed/22904937
http://dx.doi.org/10.1107/S1600536812032102
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author Hu, Hui-Ling
Wu, Chia-Jun
Yeh, Chun-Wei
Chen, Jhy-Der
author_facet Hu, Hui-Ling
Wu, Chia-Jun
Yeh, Chun-Wei
Chen, Jhy-Der
author_sort Hu, Hui-Ling
collection PubMed
description In the title compound, C(13)H(10)BrN(3)O(3), the pyrimidine and benzene rings are twisted with an inter­planar angle of 58.4 (1)°. The secondary amide group adopts a cis conformation with an H—N—C—O torsion angle of 14.8 (1)°. In the crystal, mol­ecules are connected into inversion dimers via pairs of N—H⋯N hydrogen bonds, generating an R (2) (2)(8) motif. The dimers are further connected through a C—Br⋯O inter­action [3.136 (1) Å and 169.31 (1)°] into a chain along [110]. Weak C—H⋯N hydrogen bonds between the methyl benzoate groups and pyrimidine rings are also observed in the crystal structure.
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spelling pubmed-34149502012-08-17 Methyl 4-[N-(5-bromo­pyrimidin-2-yl)carbamo­yl]benzoate Hu, Hui-Ling Wu, Chia-Jun Yeh, Chun-Wei Chen, Jhy-Der Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(10)BrN(3)O(3), the pyrimidine and benzene rings are twisted with an inter­planar angle of 58.4 (1)°. The secondary amide group adopts a cis conformation with an H—N—C—O torsion angle of 14.8 (1)°. In the crystal, mol­ecules are connected into inversion dimers via pairs of N—H⋯N hydrogen bonds, generating an R (2) (2)(8) motif. The dimers are further connected through a C—Br⋯O inter­action [3.136 (1) Å and 169.31 (1)°] into a chain along [110]. Weak C—H⋯N hydrogen bonds between the methyl benzoate groups and pyrimidine rings are also observed in the crystal structure. International Union of Crystallography 2012-07-18 /pmc/articles/PMC3414950/ /pubmed/22904937 http://dx.doi.org/10.1107/S1600536812032102 Text en © Hu et al. 2012 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
Hu, Hui-Ling
Wu, Chia-Jun
Yeh, Chun-Wei
Chen, Jhy-Der
Methyl 4-[N-(5-bromo­pyrimidin-2-yl)carbamo­yl]benzoate
title Methyl 4-[N-(5-bromo­pyrimidin-2-yl)carbamo­yl]benzoate
title_full Methyl 4-[N-(5-bromo­pyrimidin-2-yl)carbamo­yl]benzoate
title_fullStr Methyl 4-[N-(5-bromo­pyrimidin-2-yl)carbamo­yl]benzoate
title_full_unstemmed Methyl 4-[N-(5-bromo­pyrimidin-2-yl)carbamo­yl]benzoate
title_short Methyl 4-[N-(5-bromo­pyrimidin-2-yl)carbamo­yl]benzoate
title_sort methyl 4-[n-(5-bromo­pyrimidin-2-yl)carbamo­yl]benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414950/
https://www.ncbi.nlm.nih.gov/pubmed/22904937
http://dx.doi.org/10.1107/S1600536812032102
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