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N-(2-{[5-溴-2-(哌啶-1-基)嘧啶-4-基]硫基}-4-甲氧基苯基)-2,4,6-三甲基苯磺酰胺

N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfan-yl}-4-meth-oxy-phen-yl)-2,4,6-trimethyl-benzene-sulfonamide.

作者信息

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

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2767. doi: 10.1107/S1600536812036185. Epub 2012 Aug 25.

Abstract

In the title compound, C(25)H(29)BrN(4)O(3)S(2), the benzene rings bridged by the sulfonamide group are tilted relative to each other by 63.9 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 64.9 (1)°. The mol-ecular conformation is stabilized by a weak intra-molecular π-π stacking inter-action between the pyrimidine and the 2,4,6-trimethyl-benzene rings [centroid-centroid distance = 3.766 (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 and these dimers are further linked by C-H⋯O hydrogen bonds into chains propagating along [010].

摘要

在标题化合物C₂₅H₂₉BrN₄O₃S₂中,由磺酰胺基团桥连的苯环彼此倾斜63.9 (1)°,硫桥连的嘧啶环与苯环之间的二面角为64.9 (1)°。分子构象通过嘧啶环与2,4,6-三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 = 3.766 (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,这些二聚体通过C-H⋯O氢键进一步连接成沿[010]方向延伸的链。

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