ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 28, Number 4
JKCSEZ 28(4)
August 20, 1984 

The crystal and molecular structure of thiosinamine, H2NCSNHCH2CHCH2, has been determined by X-ray diffraction method. The crystals are monoclinic, space group P21/a with four molecules in a unit cell of dimensions, a = 9.819(3), b = 8.553(3), c = 9.170(2)Å, β = 127.3(1)°, and z = 4. Intensity data for 814 reflections were collected with a Rigaku-Denki automatic four circle diffractometer. The structure was solved by direct and Fourier methods. Refinements were carried out by full matrix least-squares method to a final R value of 0.046. The thiourea unit is plannar, and the bond lengths and angles in that unit agree well with those in the compounds which contain a thiourea moiety. The molecules are linked together by the two patterns of N-H…S hydrogen bonds along the b-axis.