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N-(2-{[5-溴-2-(哌啶-1-基)嘧啶-4-基]硫烷基}-4-甲氧基苯基)-4-甲基苯磺酰胺

N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfan-yl}-4-meth-oxy-phen-yl)-4-methyl-benzene-sulfonamide.

作者信息

Kumar Mohan, Mallesha L, Sridhar M A, Kapoor Kamini, Gupta Vivek K, Kant Rajni

机构信息

Department of Studies in Physics, Manasagangotri, University of Mysore, Mysore 570 006, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2831. doi: 10.1107/S1600536812037257. Epub 2012 Sep 1.

Abstract

In the title compound, C(23)H(25)BrN(4)O(3)S(2), the benzene rings bridged by the sulfonamide group are tilted relative to each other by 69.7 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 70.4 (1)°. The mol-ecular conformation is stabilized by a weak intra-molecular π-π stacking inter-action between the pyrimidine and the 4-methyl benzene rings [centroid-centroid distance = 3.633 (2) Å]. The piperidine ring adopts a chair conformation. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H⋯O hydrogen bonds.

摘要

在标题化合物C₂₃H₂₅BrN₄O₃S₂中,由磺酰胺基团桥连的苯环彼此倾斜69.7 (1)°,硫桥连的嘧啶环与苯环之间的二面角为70.4 (1)°。分子构象通过嘧啶环与4-甲基苯环之间的弱分子内π-π堆积相互作用得以稳定[质心-质心距离 = 3.633 (2) Å]。哌啶环呈椅式构象。在晶体中,分子通过N-H⋯O氢键对连接成反演二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b45b/3470193/4af50f54fb20/e-68-o2831-fig1.jpg

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