The Crystal Structure of Thiourea of Derivatives(I)

[摘要] The crystal structure of N-(¥á-dimethyl ¥â-hydroxy)ethyl N'-cyclohexyl thiourea, CllH22N2OS, has been determined by X-ray diffraction method. The compound crystallizes in the orthorhombic space group Pbca with a = 10.33(3), b = 11.82(3), c = 22.57(4)¡Ê and Z = 8. A total of 1414 observed reflections collected by the Weissenberg photographs and was solved by heavy atom method and refined by block diagonal least-squares methods to the R value of 0.13. The cyclohexane ring has a normal chair conformation and the thiourea unit is planar. The primary alcoholic group O-H bonded to C(l) makes an intramolecular hydrogen bond with N(2), which leads to stablize the molecule. There are two independent hydrogen bonds in the structure. One of them is of the type N-H¡¦O intramolecular hydrogen bond with the length 2.71¡Ê, another is of the type O-H¡¦S intermolecular hydrogen bond with the length 3.21¡Ê parallel to the b axis. Apart from the hydrogen bonding system the molecules are held together by van der Waals forces in the crystal.

[学科分类] 化学（综合）