Bandeira, Katlen Crhistian Tribuzy; Bresolin, Leandro; Näther, Christian; Jess, Inke; Oliveira, Adriano Bof de


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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