ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 19, Number 2
JKCSEZ 19(2)
April 20, 1975 

The crystal structure of piperidinothiosemicarbazide, C6H13N3S, has been determined by single crystal X-ray analysis. The space group is P21/c with four molecules in the unit cell of dimensions a = 14.68±0.04, b = 4.59±0.02, c = 12.92±0.04Å and β = 109.4±0.2˚. Three-dimensional photographic intensities were estimated visually. The structure has been solved by an interpretation of a Patterson synthesis and refined by block-diagonal least-squares methods to give a final R value of 0.14 for 378 observed independent reflections. There are two independent hydrogen bonds in the structure. One of them is of the type N-H…S with the length 3.28 and 3.39Å, and another is of the type N-H…N with the length 3.03Å. Apart from the hydrogen bonding system the molecules are held together in the crystal by van der Waals forces.