5-氯-2,4,6-三甲基-3-(4-甲基苯基亚磺酰基)-1-苯并呋喃的晶体结构
Crystal structure of 5-chloro-2,4,6-trimethyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzo-furan.
作者信息
Choi Hong Dae, Lee Uk
机构信息
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.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 5;70(Pt 12):o1233-4. doi: 10.1107/S160053681402385X. eCollection 2014 Dec 1.
In the title compound, C18H17ClO2S, the dihedral angle between the planes of the benzo-furan ring [r.m.s. deviation = 0.013 (1) Å] and the 4-methyl-phenyl ring is 87.37 (5)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.525 (2) Å]. In addition, an S⋯S [3.6584 (9) Å] contact is observed.
在标题化合物C₁₈H₁₇ClO₂S中，苯并呋喃环平面[r.m.s.偏差 = 0.013 (1) Å]与4-甲基苯环之间的二面角为87.37 (5)°。在晶体中，分子通过C-H⋯O氢键以及相邻分子的呋喃环与苯环之间的π-π相互作用相连[质心-质心距离 = 3.525 (2) Å]。此外，还观察到一个S⋯S [3.6584 (9) Å]接触。
Zotero 插件