The Crystal and Molecular Structure of Piperidinothiosemicarbazide

[摘要] 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¡¾0.04, b = 4.59¡¾0.02, c = 12.92¡¾0.04¡Ê and ¥â = 109.4¡¾0.2¢ª. 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 3.39¡Ê, and another is of the type N-H¡¦N with the length 3.03¡Ê. Apart from the hydrogen bonding system the molecules are held together in the crystal by van der Waals forces.

[学科分类] 化学（综合）