Choi Hong Dae, Lee Uk
Department of Chemistry, Dongeui University, San 24 Kaya-dong, Busanjin-gu, Busan 614-714, Republic of Korea.
Department of Chemistry, Pukyong National University, 599-1 Daeyeon 3-dong, Nam-gu, Busan 608-737, Republic of Korea.
Acta Crystallogr E Crystallogr Commun. 2015 Jul 25;71(Pt 8):o602-3. doi: 10.1107/S2056989015013687. eCollection 2015 Aug 1.
In the title compound, C18H17BrO2S, the dihedral angle between the mean planes of the benzo-furan [r.m.s. deviation = 0.025 (2) Å] and the 2-methyl-benzene rings is 87.87 (5)°. In the crystal, mol-ecules are linked into supra-molecular layers parallel to (0-11) by C-H⋯O hydrogen bonds and Br⋯Br [3.4521 (5) Å] contacts. These are connected into a three-dimensional architecture via C-H⋯π inter-actions, which link inversion-related mol-ecules into dimers, and π-π inter-actions between the benzene and furan rings [centroid-centroid distance = 3.573 (2) Å].
在标题化合物C₁₈H₁₇BrO₂S中，苯并呋喃[均方根偏差 = 0.025 (2) Å]的平均平面与2-甲基苯环之间的二面角为87.87 (5)°。在晶体中，分子通过C-H⋯O氢键和Br⋯Br [3.4521 (5) Å]接触连接成平行于(0-11)的超分子层。这些通过C-H⋯π相互作用连接成三维结构，该相互作用将反演相关的分子连接成二聚体，以及苯环和呋喃环之间的π-π相互作用[质心-质心距离 = 3.573 (2) Å]。
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