Acta Crystallographica Section E (Aug 2012)

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

  • Hui-Ling Hu,
  • Chia-Jun Wu,
  • Chun-Wei Yeh,
  • Jhy-Der Chen

DOI
https://doi.org/10.1107/S1600536812032102
Journal volume & issue
Vol. 68, no. 8
pp. o2497 – o2497

Abstract

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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—H...N hydrogen bonds, generating an R22(8) motif. The dimers are further connected through a C—Br...O interaction [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.