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3-(4-溴苯基)-1-甲基-1,2,3,3a,4,9b-六氢苯并[f]色烯并[4,3-b]吡咯-3a-羧酸甲酯

Methyl 3-(4-bromo-phen-yl)-1-methyl-1,2,3,3a,4,9b-hexa-hydro-benzo[f]chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

作者信息

Nirmala S, Kamala E Theboral Sugi, Sudha L, Kathiravan S, Raghunathan R

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 29;65(Pt 8):o2028-9. doi: 10.1107/S1600536809029389.

Abstract

In the title compound, C(24)H(22)BrNO(3), the dihydro-pyran ring adopts a half-chair conformation, whereas the pyrrolidine ring is in an envelope conformation. The bromo-phenyl group is oriented at an angle of 66.44 (4)° with respect to the naphthalene ring system. In the crystal structure, mol-ecules are linked into centrosymmetric dimers by C-H⋯π inter-actions and the dimers are connected via C-H⋯Br hydrogen bonds. The crystal structure is further stabilized by π-π inter-actions [centroid-centroid distance = 3.453 (1) Å].

摘要

在标题化合物C₂₄H₂₂BrNO₃中,二氢吡喃环呈半椅式构象,而吡咯烷环为信封式构象。溴苯基相对于萘环系统的取向角度为66.44 (4)°。在晶体结构中,分子通过C—H⋯π相互作用连接成中心对称二聚体,二聚体通过C—H⋯Br氢键相连。晶体结构通过π-π相互作用[质心-质心距离 = 3.453 (1) Å]进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e68a/2977109/a1bb080945f2/e-65-o2028-fig1.jpg

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