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3-硝基苯酚-1,3,5-三嗪-2,4,6-三胺(2/1)

3-Nitro-phenol-1,3,5-triazine-2,4,6-tri-amine (2/1).

作者信息

Sangeetha V, Kanagathara N, Chakkaravarthi G, Marchewka M K, Anbalagan G

机构信息

Department of Physics, D.G. Vaishnav College, Chennai 600 106, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 May 4;69(Pt 6):o827. doi: 10.1107/S1600536813011148. Print 2013 Jun 1.

Abstract

The asymmetric unit of the title compound, C3H6N6·2C6H5NO3, contains one melamine and two 3-nitro-phenol mol-ecules. The mean planes of the 3-nitro-phenol mol-ecules are almost orthogonal to the plane of melamine, making dihedral angles of 82.77 (4) and 88.36 (5)°. In the crystal, mol-ecules are linked via O-H⋯N, N-H⋯N and N-H⋯O hydrogen bonds, forming a three-dimensional network. The crystal also features weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.9823 (9) Å].

摘要

标题化合物C₃H₆N₆·2C₆H₅NO₃的不对称单元包含一个三聚氰胺分子和两个3-硝基苯酚分子。3-硝基苯酚分子的平均平面与三聚氰胺平面几乎正交,二面角分别为82.77 (4)°和88.36 (5)°。在晶体中,分子通过O-H⋯N、N-H⋯N和N-H⋯O氢键相连,形成三维网络。该晶体还具有弱的C-H⋯π和π-π相互作用[质心-质心距离 = 3.9823 (9) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d899/3684915/daa44c054114/e-69-0o827-fig1.jpg

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