Synthesis and crystal structure of 1,4-bis(1H-1,2,4-triazol-1-methyl)benzene

被引：0
|
作者：
Peng, YF [1 ]
Li, BZ [1 ]
Zhou, JH [1 ]
Li, BL [1 ]
Zhang, Y [1 ]
机构：
[1] Suzhou Univ, Key Lab Organ Synth Jiangsu Province, Coll Chem & Chem Engn, Suzhou 215006, Peoples R China
来源：
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY | 2004年 / 23卷 / 09期
关键词：
triazole ligand; synthesis; crystal structure;
D O I：
暂无
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The title compound 1,4-bis(1H-1,2,4-triazol-1-methyl)benzene has been synthesized and its structure was determined by single-crystal X-ray diffraction. Crystal data: C12H12N6, monoclinic, space group P2(1)/n, a = 4.567(2), b = 13.695(5), c = 9.376(9) Angstrom, beta = 94.221(7)degrees, V = 584.8(4) Angstrom(3), M-r = 240.28, Z = 2, D-c = 1.364 g/cm(3), F(000) = 252, mu(MoKalpha) = 0.090 mm(-1), the final R = 0.0493 and wR = 0.1051 for 1254 observed reflections (I > 2sigma(I)). The molecule has a symmetry center which locates at the center of the phenyl ring. The dihedral angle between the planes of triazole and phenyl rings is 77.81(9)degrees.
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页码：985 / 988
页数：4
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