Synthesis and crystal structure of 1-[4-(pyrimidin-2-yl)piperazin-1-ylmethyl]-1H-benzotriazole

被引：0
|
作者：
He Feng-Qi [1 ]
Wang Bao-Lei [1 ]
Li Zheng-Ming [1 ]
Song Hai-Bin [1 ]
机构：
[1] Nankai Univ, Inst Elementoorgan Chem, State Key Lab Elementoorgan Chem, Tianjin 300071, Peoples R China
来源：
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY | 2006年 / 25卷 / 05期
关键词：
X-ray diffraction; crystal structure; synthesis;
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 crystal structure of the title compound (C15H17N7, M-r = 295.36) has been determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P (1) over bar with a = 6.370(2), b = 9.830(3), c = 11.821(4) angstrom, alpha = 89.603(6), beta = 86.018(6), gamma = 85.850(6)degrees, V = 736.5(4) angstrom(3), Z = 2, F(000) = 312, D-c 1.332 g/cm(3), mu = 0.087 mm(-1), the final R = 0.0476 and wR = 0.1079 for 1494 observed reflections with I > 2 sigma(I). X-ray analysis reveals that the piperazine ring of the title compound is in a chair conformation. In addition, in the crystal structure there also exist intramolecular C-(HN)-N-... hydrogen bonds and intermolecular pi-pi interactions between benzotriazole rings.
引用
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页码：543 / 546
页数：4
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