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2-(4-氯-2-硝基苯基)-4-甲氧基-9-苯基磺酰基-9H-咔唑-3-甲醛

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

作者信息

Narayanan P, 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, Maraimalai campus, Chennai 600 025, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 31;70(Pt 2):o230-1. doi: 10.1107/S1600536814001809. eCollection 2014 Feb 1.

Abstract

In the sterically hindered title compound, C26H17ClN2O6S, the carbazole ring has a maximum deviation from planarity of 0.067 (4) Å for the C atom connected to the aldehyde group. The carbazole moiety forms a dihedral angle of 72.8 (1)° with the nitro-substituted benzene ring. The O atom of the meth-oxy group deviates by 0.186 (1) Å from the adjacent carbazole moiety. The phenyl-sulfonyl group forms intra-molecular C-H⋯O bonds between sulfone O atoms and the carbazole moiety, resulting in two S(6) rings. In the crystal, the nitrated benzene rings are linked via C-H⋯O inter-actions forming infinite C(7) chains along [100]. The crystal packing is also characterized by C-H⋯π inter-actions, which result in inversion dimers.

摘要

在空间位阻的标题化合物C26H17ClN2O6S中,咔唑环与连接醛基的C原子的平面最大偏差为0.067(4)Å。咔唑部分与硝基取代的苯环形成72.8(1)°的二面角。甲氧基的O原子与相邻的咔唑部分偏差0.186(1)Å。苯磺酰基在砜O原子和咔唑部分之间形成分子内C-H⋯O键,形成两个S(6)环。在晶体中,硝化苯环通过C-H⋯O相互作用连接,沿[100]形成无限的C(7)链。晶体堆积还具有C-H⋯π相互作用的特征,这导致形成反演二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/531d/3998368/584f901b6685/e-70-0o230-fig1.jpg

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