Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 29;65(Pt 8):o2014. doi: 10.1107/S1600536809029250.
In the title compound, C(24)H(15)BrO(2)S, the sulfinyl O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane through the naphthofuran fragment. The phenyl ring is nearly perpendicular to the plane of the tricyclic naphthofuran system [81.77 (6)°] and is tilted slightly towards it. The 4-bromo-phenyl ring is rotated out of the naphthofuran plane by a dihedral angle of 31.12 (4)°. In the crystal structure, non-classical inter-molecular C-H⋯O and C-H⋯Br hydrogen bonds are observed. The crystal structure also exhibits aromatic π-π inter-actions between the furan ring and the central benzene ring of the adjacent naphthofuran system [centroid-centroid distance = 3.768 (3) Å]. In addition, inter-molecular C-Br⋯π inter-actions [3.866 (2) Å] between the Br atom and the phenyl ring of the phenyl-sulfinyl substituent are present.
在标题化合物C₂₄H₁₅BrO₂S中，亚磺酰基O原子和苯基亚磺酰基取代基的苯基位于通过萘并呋喃片段的平面的相对两侧。苯环几乎垂直于三环萘并呋喃体系的平面[81.77 (6)°]，并略微向其倾斜。4-溴苯环与萘并呋喃平面的二面角为31.12 (4)°。在晶体结构中，观察到非经典的分子间C-H⋯O和C-H⋯Br氢键。晶体结构还在呋喃环与相邻萘并呋喃体系的中心苯环之间表现出芳香π-π相互作用[质心-质心距离 = 3.768 (3) Å]。此外，存在Br原子与苯基亚磺酰基取代基的苯环之间的分子间C-Br⋯π相互作用[3.866 (2) Å]。
