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

Mol­ecules of the title compound, C(13)H(10)ClN(3)O(3), form centrosymmetric dimers via inter­molecular N—H⋯N hydrogen bonds generating an R (2) (2)(8) motif. The dimers are further connected through an O⋯Cl—C halogen bond [O⋯Cl = 3.233 (1) Å and O⋯Cl—C = 167.33 (1)°] into a chain along [110]. The s...

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Autores principales: Lu, Chun-Hsiang, Wu, Chia-Jun, Yeh, Chun-Wei, Chen, Jhy-Der
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212268/
https://www.ncbi.nlm.nih.gov/pubmed/22090925
http://dx.doi.org/10.1107/S1600536811025268
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author Lu, Chun-Hsiang
Wu, Chia-Jun
Yeh, Chun-Wei
Chen, Jhy-Der
author_facet Lu, Chun-Hsiang
Wu, Chia-Jun
Yeh, Chun-Wei
Chen, Jhy-Der
author_sort Lu, Chun-Hsiang
collection PubMed
description Mol­ecules of the title compound, C(13)H(10)ClN(3)O(3), form centrosymmetric dimers via inter­molecular N—H⋯N hydrogen bonds generating an R (2) (2)(8) motif. The dimers are further connected through an O⋯Cl—C halogen bond [O⋯Cl = 3.233 (1) Å and O⋯Cl—C = 167.33 (1)°] into a chain along [110]. The secondary amide group adopts a cis conformation. Weak C—H⋯N hydrogen bonds among the methyl benzoate and pyrimidyl rings are also observed in the crystal structure.
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spelling pubmed-32122682011-11-16 Methyl 4-[(5-chloro­pyrimidin-2-yl)carbamo­yl]benzoate Lu, Chun-Hsiang Wu, Chia-Jun Yeh, Chun-Wei Chen, Jhy-Der Acta Crystallogr Sect E Struct Rep Online Organic Papers Mol­ecules of the title compound, C(13)H(10)ClN(3)O(3), form centrosymmetric dimers via inter­molecular N—H⋯N hydrogen bonds generating an R (2) (2)(8) motif. The dimers are further connected through an O⋯Cl—C halogen bond [O⋯Cl = 3.233 (1) Å and O⋯Cl—C = 167.33 (1)°] into a chain along [110]. The secondary amide group adopts a cis conformation. Weak C—H⋯N hydrogen bonds among the methyl benzoate and pyrimidyl rings are also observed in the crystal structure. International Union of Crystallography 2011-07-02 /pmc/articles/PMC3212268/ /pubmed/22090925 http://dx.doi.org/10.1107/S1600536811025268 Text en © Lu et al. 2011 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
Lu, Chun-Hsiang
Wu, Chia-Jun
Yeh, Chun-Wei
Chen, Jhy-Der
Methyl 4-[(5-chloro­pyrimidin-2-yl)carbamo­yl]benzoate
title Methyl 4-[(5-chloro­pyrimidin-2-yl)carbamo­yl]benzoate
title_full Methyl 4-[(5-chloro­pyrimidin-2-yl)carbamo­yl]benzoate
title_fullStr Methyl 4-[(5-chloro­pyrimidin-2-yl)carbamo­yl]benzoate
title_full_unstemmed Methyl 4-[(5-chloro­pyrimidin-2-yl)carbamo­yl]benzoate
title_short Methyl 4-[(5-chloro­pyrimidin-2-yl)carbamo­yl]benzoate
title_sort methyl 4-[(5-chloro­pyrimidin-2-yl)carbamo­yl]benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212268/
https://www.ncbi.nlm.nih.gov/pubmed/22090925
http://dx.doi.org/10.1107/S1600536811025268
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AT yehchunwei methyl45chloropyrimidin2ylcarbamoylbenzoate
AT chenjhyder methyl45chloropyrimidin2ylcarbamoylbenzoate

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