Liu Wei-Yong, Xie Yong-Sheng, Wang Bai-Shan, Zhao Bao-Xiang
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 18;66(Pt 10):m1275. doi: 10.1107/S160053681003638X.
In the title compound, [Fe(C(5)H(5))(C(24)H(18)N(3)O(2)S)], the pyrazoline ring adopts a twist conformation. The thia-zole ring forms dihedral angles of 83.7 (2) and 34.4 (2)° with the benzene ring of the benzodioxole ring and the fused phenyl ring, respectively. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯π inter-action. The crystal packing features inter-molecular C-H⋯N, C-H⋯O hydrogen bonds and weak C-H⋯π inter-actions.
在标题化合物[Fe(C₅H₅)(C₂₄H₁₈N₃O₂S)]中，吡唑啉环呈扭曲构象。噻唑环与苯并二恶唑环的苯环和稠合苯环分别形成83.7 (2)°和34.4 (2)°的二面角。分子构象通过分子内C—H⋯π相互作用得以稳定。晶体堆积具有分子间C—H⋯N、C—H⋯O氢键和弱C—H⋯π相互作用。
