3,4-二硝基-1H-吡唑苯0.25溶剂合物
3,4-Dinitro-1H-pyrazole benzene 0.25-solvate.
作者信息
Li Yong-Xiang, Du Shan, Wang Jian-Long
机构信息
School of Chemical Engineering and Environment, North University of China, Taiyuan, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1369. doi: 10.1107/S1600536811015996. Epub 2011 May 11.
The asymmetric unit of the title compound, 4C(3)H(2)N(2)O(4)·C(6)H(6), contains two independent dinitro-pyrazole mol-ecules and half a benzene solvent mol-ecule, which lies on a crystallographic inversion centre. Each pyrazole ring is essentially planar (mean deviations of 0.009 and 0.002 Å), with the two nitro groups rotated out of the plane [dihedral angles = 11.7 (2)/31.1 (1) and 21.8 (2)/25.0 (1)° for the two mol-ecules].
标题化合物4C₃H₂N₂O₄·C₆H₆的不对称单元包含两个独立的二硝基吡唑分子和半个苯溶剂分子，该苯溶剂分子位于一个晶体学倒转中心上。每个吡唑环基本呈平面状（平均偏差为0.009和0.002 Å），两个硝基扭转出平面[两个分子的二面角分别为11.7(2)/31.1(1)和21.8(2)/25.0(1)°]。
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