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2-氨基苯甲酸-4-(吡啶-4-基-二硫烷基)吡啶(1/1)

2-Amino-benzoic acid-4-(pyridin-4-yl-disulfan-yl)pyridine (1/1).

作者信息

Arman Hadi D, Kaulgud Trupta, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3361. doi: 10.1107/S1600536811048483. Epub 2011 Nov 19.

Abstract

The title 1:1 co-crystal, C(7)H(7)NO(2)·C(10)H(8)N(2)S(2), features a highly twisted 4-(pyridin-4-yldisulfan-yl)pyridine mol-ecule [dihedral angle between the pyridine rings = 89.06 (10)°]. A small twist is evident in the 2-amino-benzoic acid mol-ecule, with the C-C-C-O torsion angle being -7.7 (3)°. An N-H⋯O hydrogen bond occurs in the 2-amino-benzoic acid mol-ecule. In the crystal, mol-ecules are linked by O-H⋯N and N-H⋯N hydrogen bonds into a supra-molecular chain along the b axis. These are connected into layers by π-π inter-actions occurring between pyridine rings [centroid-centroid distance = 3.8489 (15) Å]. The layers are connected along the a axis by C-H⋯O contacts. The crystal studied was a racemic twin.

摘要

标题为1:1共晶体,化学式为C(7)H(7)NO(2)·C(10)H(8)N(2)S(2),其特征在于一个高度扭曲的4-(吡啶-4-基二硫烷基)吡啶分子[吡啶环之间的二面角 = 89.06 (10)°]。2-氨基苯甲酸分子中存在一个小的扭曲,C-C-C-O扭转角为-7.7 (3)°。2-氨基苯甲酸分子中存在N-H⋯O氢键。在晶体中,分子通过O-H⋯N和N-H⋯N氢键沿b轴连接成超分子链。这些通过吡啶环之间发生的π-π相互作用[质心-质心距离 = 3.8489 (15) Å]连接成层。这些层通过C-H⋯O接触沿a轴连接。所研究的晶体是一个外消旋孪晶。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a90b/3239006/575cfe2e2db1/e-67-o3361-fig1.jpg

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