Received 7 June 2012
In the title compound, C13H10BrN3O3, 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-HN hydrogen bonds, generating an R22(8) motif. The dimers are further connected through a C-BrO interaction [3.136 (1) Å and 169.31 (1)°] into a chain along . Weak C-HN hydrogen bonds between the methyl benzoate groups and pyrimidine rings are also observed in the crystal structure.
For methyl-4-(5-bromopyrimidin-2-ylcarbamoyl)benzoate and its metal complexes, see: Wu et al. (2011). For the conformation of related amides, see Forbes et al. (2001); Oertli et al. (1992); Lu et al. (2011a,b). For C-BrO interactions, see: Rowland & Taylor (1996).
Data collection: XSCANS (Siemens, 1995); cell refinement: XSCANS; data reduction: SHELXTL (Sheldrick, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: GW2122 ).
We are grateful to the National Science Council of the Republic of China for support.
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