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3-溴甲基-4-甲氧基-2-(2-硝基苯基)-9-苯基磺酰基-9H-咔唑

3-Bromo-methyl-4-meth-oxy-2-(2-nitro-phen-yl)-9-phenyl-sulfonyl-9H-carbazole.

作者信息

Gopinath S, Sethusankar K, Saravanan Velu, Mohanakrishnan Arasambattu K

机构信息

Department of Physics, RKM Vivekananda College (Autonomous), Chennai 600 004, India.

Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai 600 025, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 May 24;70(Pt 6):o707-8. doi: 10.1107/S160053681401143X. eCollection 2014 Jun 1.

Abstract

In the title compound, C26H19BrN2O5S, the carbazole tricycle is essentially planar, with the largest deviation being 0.126 (3) Å for the C atom connected to the nitro-phenyl group. The carbazole moiety is almost orthogonal to the benzene rings of the adjacent phenyl-sulfonyl and nitro-phenyl groups, making dihedral angles of 85.43 (15) and 88.62 (12)°, respectively. The mol-ecular conformation is stabilized by two C-H⋯O hydrogen bonds involving the sulfone group, which form similar six-membered rings. In the crystal, mol-ecules symmetrically related by a glide plane are linked in C(6) chains parallel to [001] by C-H⋯O hydrogen bonds formed with the participation of the nitro group. The chains are reinforced by additional C-H⋯π inter-actions.

摘要

在标题化合物C₂₆H₁₉BrN₂O₅S中,咔唑三环基本呈平面状,与硝基苯基相连的C原子的最大偏差为0.126 (3) Å。咔唑部分与相邻的苯磺酰基和硝基苯基的苯环几乎正交,二面角分别为85.43 (15)°和88.62 (12)°。分子构象通过涉及砜基的两个C—H⋯O氢键得以稳定,这两个氢键形成了类似的六元环。在晶体中,通过滑移面呈对称关系的分子通过与硝基参与形成的C—H⋯O氢键在平行于[001]的C(6)链中相连。这些链通过额外的C—H⋯π相互作用得到加强。

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