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本文引用的文献

1
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.

3,4-双(2-吡啶基)-5-(3-吡啶基)-4H-1,2,4-三唑

3,4-Bis(2-pyrid-yl)-5-(3-pyrid-yl)-4H-1,2,4-triazole.

作者信息

Wu Jing-Min, Guo Wei, Li Cheng-Peng

机构信息

College of Chemistry, Tianjin Key Laboratory of Structure and Performance for Functional Molecules, Tianjin Normal University, Tianjin 300387, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1189. doi: 10.1107/S1600536811014140. Epub 2011 Apr 22.

DOI:10.1107/S1600536811014140
PMID:21754491
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089253/
Abstract

In the title mol-ecule, C(17)H(12)N(6), the 2-pyridyl rings in the 3- and 4-positions and the 3-pyridyl ring in the 5-position make dihedral angles of 29.78 (16), 67.06 (16) and 32.97 (16)°, respectively, with the triazole group. The dihedral angle between the two 2-pyridyl rings is 65.72 (15)°. The dihedral angles between the 3-pyridyl ring and the two 2-pyridyl rings in the 3- and 4-positions are 61.28 (15) and 63.11 (15)°, respectively. In the crystal, C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.6248 (19) Å] link the mol-ecules, forming a two-dimensional network.

摘要

在标题分子C(17)H(12)N(6)中,3位和4位的2-吡啶环以及5位的3-吡啶环与三唑基团的二面角分别为29.78 (16)、67.06 (16)和32.97 (16)°。两个2-吡啶环之间的二面角为65.72 (15)°。3-吡啶环与3位和4位的两个2-吡啶环之间的二面角分别为61.28 (15)和63.11 (15)°。在晶体中,C-H⋯π和π-π相互作用[质心-质心距离 = 3.6248 (19) Å]连接分子,形成二维网络。