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4'-(4-氟苯基)-1'-甲基-双螺[茚满-2,2'-吡咯烷-3',2''-茚满]-1,3,1''-三酮甲醇半溶剂合物

4'-(4-Fluoro-phen-yl)-1'-methyl-dispiro-[indane-2,2'-pyrrolidine-3',2''-indane]-1,3,1''-trione methanol hemisolvate.

作者信息

Ali Mohamed Ashraf, Manogaran Elumalai, Choon Tan Soo, Rosli Mohd Mustaqim, Razak Ibrahim Abdul

机构信息

Institute for Research in Molecular Medicine, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 17;69(Pt 5):o746-7. doi: 10.1107/S1600536813009987. Print 2013 May 1.

Abstract

The asymmetric unit of the title compound, C29H24FNO5·0.5CH3OH, contains two independent mol-ecules and a one methanol solvent mol-ecule. The methanol mol-ecule is O-H⋯O hydrogen bonded to one of the independent mol-ecules. The pyrrolidine rings in both mol-ecules adopt half-chair conformations, while the cyclo-pentane rings within the indane groups are in flattened envelope conformations, with the spiro C atoms forming the flaps. The benzene rings of the indane ring systems form a dihedral angle of 35.06 (7)° in one independent mol-ecule and 31.16 (8)° in the other. The fluoro-substituted benzene ring forms dihedral angles of 65.35 (6) and 85.87 (7)° with the indane group benzene rings in one mol-ecule, and 72.78 (8) and 77.27 (8)° in the other. In each mol-ecule, a weak intra-molecular C-H⋯O hydrogen bond forms an S(6) ring motif. In the crystal, weak C-H⋯O, C-H⋯N and C-H⋯F hydrogen bonds link the mol-ecules into a three-dimensional network.

摘要

标题化合物C29H24FNO5·0.5CH3OH的不对称单元包含两个独立分子和一个甲醇溶剂分子。甲醇分子通过O—H⋯O氢键与其中一个独立分子相连。两个分子中的吡咯烷环均呈半椅式构象,而茚满基团内的环戊烷环呈扁平信封式构象,螺碳原子形成折边。茚满环系的苯环在一个独立分子中形成的二面角为35.06 (7)°,在另一个独立分子中为31.16 (8)°。氟取代苯环在一个分子中与茚满基团苯环形成的二面角为65.35 (6)°和85.87 (7)°,在另一个分子中为72.78 (8)°和77.27 (8)°。在每个分子中,一个弱的分子内C—H⋯O氢键形成一个S(6)环模式。在晶体中,弱的C—H⋯O、C—H⋯N和C—H⋯F氢键将分子连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3032/3648276/996a0f704329/e-69-0o746-fig1.jpg

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