Crystal structure and Hirshfeld surface analysis of 5-bromo-1,3,4-thiadiazol-2-amine
Abstract
In the crystal of the title compound, C 2 H 2 BrN 3 S, N—H...N hydrogen bonds connect the molecules in the form of hydrogen-bonded double-layered ribbons along the c -axis direction including R 2 2 (8) and R 2 1 (3) motifs, which extend to double layers in the bc -plane through the same hydrogen bonding albeit at different angles. The actual packing between these layers appears to also be a result of weak vdW interactions (Br/S, Br/Br) as well as Br–Br repulsion (steric and/or electrostatic). Looking along b or slightly deviating from that direction shows that the latter adopt a zipper pattern in order to not get too close to each other. Hirshfeld surface analysis indicates that N...H/H...N, Br...S/S...Br, Br...Br and H...H contacts account for 69.3% of the total contributions to the Hirshfeld surface.