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

Acta Crystallogr Sect E Struct Rep Online

Department of Chemistry, Chung-Yuan Christian University, Chung-Li 320, Taiwan.

Published: August 2012

In the title compound, C(13)H(10)BrN(3)O(3), the pyrimidine and benzene rings are twisted with an inter-planar 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, mol-ecules 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 inter-action [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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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414950PMC
http://dx.doi.org/10.1107/S1600536812032102DOI Listing

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