Wei Ang Chee, Ali Mohamed Ashraf, Choon Tan Soo, Quah Ching Kheng, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3218-9. doi: 10.1107/S1600536811046174. Epub 2011 Nov 5.
The asymmetric unit of the title compound, C(28)H(21)NO(3)S, contains two mol-ecules with similar geometries. The thia-zolidine rings adopt half-chair conformations while the pyrrolidine and the diketo-substituted five-membered carbocyclic rings are in envelope conformations with the spiro C atoms at the flaps. In one mol-ecule, the phenyl ring forms dihedral angles of 57.76 (12) and 71.79 (12)° with the fused benzene rings and the fused benzene rings form a dihedral angle of 57.75 (13)°. The corresponding dihedral angles in the other mol-ecule are 60.04 (12), 72.93 (12) and 54.51 (13)°. The mol-ecular structure is stabilized by intra-molecular C-H⋯O hydrogen bonds, which generate S(6) ring motifs. In the crystal, mol-ecules are linked via C-H⋯O and C-H⋯N hydrogen bonds into layers lying parallel to the ab plane.
标题化合物C(28)H(21)NO(3)S的不对称单元包含两个具有相似几何形状的分子。噻唑烷环呈半椅式构象,而吡咯烷环和二酮取代的五元碳环呈信封式构象,螺碳原子位于折边处。在一个分子中,苯环与稠合苯环形成的二面角为57.76 (12)°和71.79 (12)°,稠合苯环之间形成的二面角为57.75 (13)°。另一个分子中的相应二面角分别为60.04 (12)°、72.93 (12)°和54.51 (13)°。分子结构通过分子内C-H⋯O氢键得以稳定,这些氢键形成了S(6)环模式。在晶体中,分子通过C-H⋯O和C-H⋯N氢键连接成平行于ab平面的层。