Z. Ciunik et al., CRYSTAL AND MOLECULAR-STRUCTURE OF 1,4-S,S'-BIS-ISOTHIOSEMICARBAZIDEBUTANE DIHYDROBROMIDE, Journal of chemical crystallography, 24(8), 1994, pp. 507-510
The synthesis and crystal structure of 1,4-S,S'-isothiosemicarbazidebu
tane dihydrobromide have been presented. The crystals are monoclinic:
P2(1)/n, a = 7.9910(10), b = 10.979(2), c = 8.9240(10)Angstrom, beta =
111.450(10)degrees, Z = 2, room temp. The structure was solved by dir
ect methods, and refined to R = 0.0297 for 846 reflections. The title
compound consists of the centrosymmetric [C6H18N6S2](2+) dication and
two Br- anions. Intramolecular N-H...N and intermolecular N-H...Br hyd
rogen bonds stabilize trans conformation of the thiosemicarbazide moie
ty.