5-氯-7-甲基-2-苯基-3-苯基亚磺酰基-1-苯并呋喃
5-Chloro-7-methyl-2-phenyl-3-phenyl-sulfinyl-1-benzofuran.
作者信息
Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 4;65(Pt 8):o1767. doi: 10.1107/S1600536809024763.
In the title compound, C(21)H(15)ClO(2)S, the O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment; the phenyl ring is almost perpendicular to this plane [82.24 (7)°]. The phenyl ring in the 2-position is rotated out of the benzofuran plane, making a dihedral angle of 11.50 (9)°. The crystal structure is stabilized by inter-molecular C-H⋯O and C-H⋯Cl inter-actions. In addition, the stacked mol-ecules exhibit an inter-molecular S⋯O inter-action [3.327 (2) Å] involving the sulfinyl groups.
在标题化合物C₂₁H₁₅ClO₂S中，苯基亚磺酰基取代基的O原子和苯基位于苯并呋喃片段平面的相对两侧；苯环几乎垂直于该平面[82.24 (7)°]。2-位的苯环旋转出苯并呋喃平面，二面角为11.50 (9)°。晶体结构通过分子间C—H⋯O和C—H⋯Cl相互作用得以稳定。此外，堆积的分子表现出涉及亚磺酰基的分子间S⋯O相互作用[3.327 (2) Å]。
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