S. Seth et al., BIOLOGICAL-ACTIVITY OF 4-(4-BROMOPHENYL)THIOSEMICARBAZIDE, Acta crystallographica. Section C, Crystal structure communications, 52, 1996, pp. 2377-2379
The two molecules (A and B) in the asymmetric unit of the title compou
nd, C7H8BrN3S; display different conformations. In both molecules, the
S atom is trans to the NH2 group. The Br atoms of the two molecules a
pproach each other at a distance of 3.573(2)Angstrom. The crystal stru
cture of the bromine compound is isomorphous with that of its chlorine
analogue. In the crystal structure, intramolecular N-H ... N and inte
rmolecular N-H ... S hydrogen bonds help stabilize the molecular packi
ng. The increased antibacterial activity of the title compound compare
d to that of its chlorine analogue may be attributed to the increase i
n electron density on the hydrazinic end of the thiosemicarbazide chai
n.