Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)

organic compounds

Acta Cryst. (2013). E69, o1251-o1252    [ doi:10.1107/S1600536813018564 ]


K. C. T. Bandeira, L. Bresolin, C. Näther, I. Jess and A. B. Oliveira

Abstract: The title mol­ecule, C9H7BrN4OS, is essentially planar [r.m.s. deviation = 0.066 (2) Å], the maximum deviation from the mean plane through the non-H atoms being 0.190 (3) Å for the terminal amine N atom. In the crystal, mol­ecules are linked through N-H...O and N-H...S inter­actions, generating infinite chains along the b-axis direction. In turn, the chains are stacked along the a axis via [pi]-[pi] inter­actions [centroid-centroid distance = 3.470 (2) Å] and further connected by N-H...Br inter­actions into a three-dimensional network. An intra­molecular N-H...O hydrogen bond is also observed.

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