Synthesis and Crystal Structure of 1-[4-(Pyrimidin-2-yl)piperazin-1-ylmethyl]-1H-benzotriazole

被引：0
|
作者：
HE Feng-Qi WANG Bao-Lei LI Zheng-Ming ② SONG Hai-Bin (Elemento-organic Chemistry Institute
机构：
来源：
Chinese Journal of Structural Chemistry | 2006年 / 05期
基金：
中国国家自然科学基金;
关键词：
X-ray diffraction; crystal structure; synthesis;
D O I：
10.14102/j.cnki.0254-5861.2006.05.006
中图分类号：
O621.25 [];
学科分类号：
070303 ; 081704 ;
摘要：
The crystal structure of the title compound (C15H17N7, Mr = 295.36) has been determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P1 with a = 6.370(2), b = 9.830(3), c = 11.821(4) , α = 89.603(6), β = 86.018(6), γ = 85.850(6)°, V = 736.5(4) 3, Z = 2, F(000) = 312, Dc = 1.332 g/cm3, μ = 0.087 mm-1, the final R = 0.0476 and wR = 0.1079 for 1494 observed reflections with I > 2σ(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 intramo- lecular C–H···N hydrogen bonds and intermolecular π-π interactions between benzotriazole rings.
引用
收藏
页码：543 / 546
页数：4
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