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3-氨基-4,6-二甲基-噻吩并[2,3-b]吡啶-2-甲腈

3-Amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbonitrile.

作者信息

Zeng Xiu-Xiu, Ye Ting-Hong, Lun Dong-Wen, Yu Luo-Ting, Yang Li

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 21;65(Pt 12):o3138. doi: 10.1107/S1600536809048132.

DOI:10.1107/S1600536809048132
PMID:21578859
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2971991/
Abstract

The mol-ecule of the title compound, C(10)H(9)N(3)S, is almost planar, with a dihedral angle of 1.38 (4)° between the thio-phene and pyridine rings. In the crystal packing, mol-ecules are linked into layers parallel to the ab plane by inter-molecular N-H⋯N hydrogen bonds and by π⋯π stacking inter-actions involving adjacent pyridine and thio-phene rings with a centroid-centroid distance of 3.537 (3) Å.

摘要

标题化合物C(10)H(9)N(3)S的分子几乎呈平面状，噻吩环和吡啶环之间的二面角为1.38 (4)°。在晶体堆积中，分子通过分子间N-H⋯N氢键以及涉及相邻吡啶环和噻吩环的π⋯π堆积相互作用连接成平行于ab平面的层，质心间距为3.537 (3) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/776d/2971991/e2dc47adb2f9/e-65-o3138-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/776d/2971991/977d20939a99/e-65-o3138-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/776d/2971991/e2dc47adb2f9/e-65-o3138-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/776d/2971991/977d20939a99/e-65-o3138-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/776d/2971991/e2dc47adb2f9/e-65-o3138-fig2.jpg

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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.