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3-甲基-1-对甲苯磺酰基-1H-吲哚-2-甲醛

3-Methyl-1-tosyl-1H-indole-2-carbaldehyde.

作者信息

Pradeep Priyamvada, Khorasani Sanaz, de Koning Charles B, Fernandes Manuel A

机构信息

Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, PO Wits 2050, Johannesburg, South Africa.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Feb 1;69(Pt 2):o219. doi: 10.1107/S160053681205180X. Epub 2013 Jan 12.

Abstract

The title indole derivative, C(17)H(15)NO(3)S, crystallizes with two independent mol-ecules in the asymmetric unit. The benzene ring of the tosyl group is almost perpedicular to the indole ring in both mol-ecules, with inter-planar angles of 82.60 (5)° and 81.82 (6)°. The two mol-ecules are, as a consequence, able to form an almost centrosymmetric non-bonded dimer, in which the molecules are linked by pairs of C-H⋯π inter-actions. The crystal structure displays a three-dimensional network of C-H⋯O inter-actions. A π-π inter-action occurs between inversion-related indole rings with a centroid-centroid distance of 3.6774 (16) Å and an inter-planar angle of 1.53 (15)°. This inter-action leads to a stacking of mol-ecules along the a axis.

摘要

标题吲哚衍生物C(17)H(15)NO(3)S在不对称单元中以两个独立分子结晶。在两个分子中,甲苯磺酰基的苯环几乎与吲哚环垂直,平面间夹角分别为82.60 (5)°和81.82 (6)°。因此,这两个分子能够形成一个几乎中心对称的非键二聚体,其中分子通过C-H⋯π相互作用对相连。晶体结构展示了一个C-H⋯O相互作用的三维网络。在具有对称中心相关的吲哚环之间发生π-π相互作用,质心-质心距离为3.6774 (16) Å,平面间夹角为1.53 (15)°。这种相互作用导致分子沿a轴堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/816c/3569754/bf2fe4925cd3/e-69-0o219-fig1.jpg

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