Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 1 (January 2012)

organic compounds

pv2488 scheme

Acta Cryst. (2012). E68, o111    [ doi:10.1107/S1600536811051531 ]


Q. Yang, N. Xu, K. Zhu, X. Lv and P. Han

Abstract: In the title molecule, C5H6BrN3, the pyrimidine ring is essentially planar, with an r.m.s. deviation of 0.007 Å. The Br and N atoms substituted to the pyrimidine ring are coplanar with the ring [displacements = 0.032 (1) and 0.009 (5) Å, respectively], while the methyl C atom lies 0.100 (15) Å from this plane with a dihedral angle between the pyrimidine ring and the methylamine group of 4.5 (3)°. In the crystal, C-H...N, C-H...Br and N-H...N hydrogen bonds link the molecules into a two-dimensional network in the (011) plane.

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