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1,3 - 二 - 4 - 吡啶基丙烷 - 4,4'- 氧基 - 二苯甲酸(1/1)

1,3-Di-4-pyridylpropane-4,4'-oxy-dibenzoic acid (1/1).

作者信息

Dong Wen-Wen, Li Dong-Sheng, Zhao Jun, Tang Long, Hou Xiang-Yang

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 8;64(Pt 12):o2252. doi: 10.1107/S1600536808034971.

Abstract

In the title compound, C(13)H(14)N(2)·C(14)H(10)O(5), a 1:1 cocrystal of 1,3-di-4-pyridylpropane (bpp) and 4,4'-oxydibenzoic acid (H(2)oba), the dihedral angle between the two benzene rings of the flexible H(2)oba mol-ecule is 57.07 (1)°; the two pyridine rings of bpp make a dihedral angle of 27.52 (1)°. Strong inter-molecular O-H⋯N hydrogen bonds link the mol-ecules into chains, which are then linked into a three-dimensional network through inter-molecular C-H⋯O and π-π stacking inter-actions [centroid-centroid distance = 3.7838 (3) Å].

摘要

在标题化合物C₁₃H₁₄N₂·C₁₄H₁₀O₅中,它是1,3 - 二(4 - 吡啶基)丙烷(bpp)与4,4'-氧化二苯甲酸(H₂oba)的1:1共晶体,柔性H₂oba分子的两个苯环之间的二面角为57.07 (1)°;bpp的两个吡啶环的二面角为27.52 (1)°。强分子间O - H⋯N氢键将分子连接成链,然后通过分子间C - H⋯O和π - π堆积相互作用[质心 - 质心距离 = 3.7838 (3) Å]连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e34e/2959904/8c4ae36e0bbe/e-64-o2252-fig1.jpg

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