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

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

Molecules of the title compound, C13H10ClN3O3, form centrosymmetric dimers via intermolecular N—H...N hydrogen bonds generating an R22(8) motif. The dimers are further connected through an O...Cl—C halogen bond [O...Cl = 3.233 (1) &#197...

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Main Authors: Chun-Hsiang Lu, Chia-Jun Wu, Chun-Wei Yeh, Jhy-Der Chen
Format: Article
Language:English
Published: International Union of Crystallography 2011-08-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811025268
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spelling doaj-c874c24d06b54bf59304eb6b5a47ae522020-11-25T02:46:52ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-08-01678o1872o187210.1107/S1600536811025268Methyl 4-[(5-chloropyrimidin-2-yl)carbamoyl]benzoateChun-Hsiang LuChia-Jun WuChun-Wei YehJhy-Der ChenMolecules of the title compound, C13H10ClN3O3, form centrosymmetric dimers via intermolecular N—H...N hydrogen bonds generating an R22(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.http://scripts.iucr.org/cgi-bin/paper?S1600536811025268
collection DOAJ
language English
format Article
sources DOAJ
author Chun-Hsiang Lu
Chia-Jun Wu
Chun-Wei Yeh
Jhy-Der Chen
spellingShingle Chun-Hsiang Lu
Chia-Jun Wu
Chun-Wei Yeh
Jhy-Der Chen
Methyl 4-[(5-chloropyrimidin-2-yl)carbamoyl]benzoate
Acta Crystallographica Section E
author_facet Chun-Hsiang Lu
Chia-Jun Wu
Chun-Wei Yeh
Jhy-Der Chen
author_sort Chun-Hsiang Lu
title Methyl 4-[(5-chloropyrimidin-2-yl)carbamoyl]benzoate
title_short 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_sort methyl 4-[(5-chloropyrimidin-2-yl)carbamoyl]benzoate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2011-08-01
description Molecules of the title compound, C13H10ClN3O3, form centrosymmetric dimers via intermolecular N—H...N hydrogen bonds generating an R22(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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536811025268
work_keys_str_mv AT chunhsianglu methyl45chloropyrimidin2ylcarbamoylbenzoate
AT chiajunwu methyl45chloropyrimidin2ylcarbamoylbenzoate
AT chunweiyeh methyl45chloropyrimidin2ylcarbamoylbenzoate
AT jhyderchen methyl45chloropyrimidin2ylcarbamoylbenzoate
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