Methyl 4-[(5-chloro-pyrimidin-2-yl)carbamo-yl]benzoate.

Acta Crystallogr Sect E Struct Rep Online

Department of Chemistry, Chung-Yuan Christian University, Chung-Li, Taiwan.

Published: August 2011

Mol-ecules of the title compound, C(13)H(10)ClN(3)O(3), form centrosymmetric dimers via inter-molecular 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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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212268PMC
http://dx.doi.org/10.1107/S1600536811025268DOI Listing

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