Abstract
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 R 2 2(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.
Highlights
C13H10BrN3O3, the pyrimidine and benzene rings are twisted with an interplanar angle of
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
Summary
R factor = 0.034; wR factor = 0.076; data-to-parameter ratio = 11.8. C13H10BrN3O3, the pyrimidine and benzene rings are twisted with an interplanar angle of. The secondary amide group adopts a cis conformation with an H—N—C—O torsion angle of 14.8 (1). 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 observed in the crystal structure
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