5-环己基-3-乙基亚磺酰基-2-(3-氟苯基)-1-苯并呋喃
5-Cyclo-hexyl-3-ethyl-sulfinyl-2-(3-fluoro-phen-yl)-1-benzo-furan.
作者信息
Choi Hong Dae, Seo Pil Ja, 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. 2013 Aug 23;69(Pt 9):o1462. doi: 10.1107/S1600536813023180. eCollection 2013.
In the title compound, C22H23FO2S, the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.013 (2) Å] of the benzo-furan ring system and the mean plane [r.m.s. deviation = 0.009 (2) Å] of the 3-fluoro-phenyl ring is 24.80 (4)°. In the crystal, mol-ecules are connected by C-H⋯O hydrogen bonds, forming chains along [10-1]. These chains are linked via C-H⋯F hydrogen bonds, forming a three-dimensional structure. There are also inter-planar inter-actions present involving the furan ring of the benzo-furan ring system and the 3-fluoro-phenyl ring [centroid-centroid distance = 3.728 (2) Å].
在标题化合物C22H23FO2S中，环己基环呈椅式构象。苯并呋喃环系的平均平面[r.m.s.偏差 = 0.013 (2) Å]与3-氟苯基环的平均平面[r.m.s.偏差 = 0.009 (2) Å]之间的二面角为24.80 (4)°。在晶体中，分子通过C—H⋯O氢键相连，沿[10-1]方向形成链状结构。这些链通过C—H⋯F氢键相连，形成三维结构。还存在涉及苯并呋喃环系的呋喃环和3-氟苯基环的面间相互作用[质心-质心距离 = 3.728 (2) Å]。
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