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苯甲酸 - 4 - {(1E)-[(E)-2 - (吡啶 - 4 - 基 - 亚甲基)肼 - 1 - 基亚甲基]甲基}吡啶(2/1)

Benzoic acid-4-{(1E)-[(E)-2-(pyridin-4-yl-methyl-idene)hydrazin-1-yl-idene]meth-yl}pyridine (2/1).

作者信息

Arman Hadi D, Kaulgud Trupta, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 23;66(Pt 11):o2924. doi: 10.1107/S1600536810041875.

Abstract

In the title co-crystal, C(12)H(10)N(4)·2C(7)H(6)O(2), the complete 4-pyridine-aldazine mol-ecule is generated by a crystallographic centre of inversion. In the crystal, mol-ecules are connected into a three component aggregate via O-H⋯N hydrogen bonds. As both the benzoic acid [O-C-C-C torsion angle = 174.8 (2)°] and 4-pyridine-aldazine (r.m.s. deviation of the 16 non-H atoms = 0.041 Å) mol-ecules are almost planar, the resulting three-component aggregate is essentially planar. The crystal packing comprises layers of the three-component aggregates of alternating orientation stacked along the b axis; the connections between the mol-ecules are of the types C-H⋯π and π-π [pyridine-benzene centroid-centroid distance = 3.787 (4) Å].

摘要

在标题共晶体C(12)H(10)N(4)·2C(7)H(6)O(2)中,完整的4-吡啶醛连氮分子由一个晶体学反演中心生成。在晶体中,分子通过O-H⋯N氢键连接成一个三组分聚集体。由于苯甲酸[O-C-C-C扭转角 = 174.8 (2)°]和4-吡啶醛连氮(16个非H原子的均方根偏差 = 0.041 Å)分子几乎都是平面的,因此形成的三组分聚集体基本上是平面的。晶体堆积由沿b轴堆叠的交替取向的三组分聚集体层组成;分子间的连接类型为C-H⋯π和π-π [吡啶-苯质心-质心距离 = 3.787 (4) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce15/3009056/f0f5af20cf63/e-66-o2924-fig1.jpg

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