1-[5-(2-氯苯基)-5-羟基-3-甲基-4,5-二氢-1H-吡唑-1-基]乙酮
1-[5-(2-Chloro-phen-yl)-5-hy-droxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-ethanone.
作者信息
Guo Sheng-Hai, Wang Ji-Liang, Guo Dong-Qiang, Zhang Xin-Ying
机构信息
School of Chemistry and Environmental Science, Henan Key Laboratory for Environmental Pollution Control, Henan Normal University, Xinxiang, Henan 453007, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Mar 1;68(Pt 3):o839. doi: 10.1107/S1600536812007283. Epub 2012 Feb 24.
The title compound, C(12)H(13)ClN(2)O(2), crystallizes with two independent but very similar mol-ecules (A and B) in the asymmetric unit. The pyrazole ring in each mol-ecule has an envelope conformation. The dihedral angle between the pyrazole ring mean plane and the benzene ring is 86.07 (14)° in A and 85.99 (14)° in B. In the crystal, the A and B mol-ecules are linked via a pair of O-H⋯O hydrogen bonds, forming dimers. These dimers are further linked via C-H⋯O inter-actions to form -A-B-A-B- chains propagating along the c-axis direction.
标题化合物C(12)H(13)ClN(2)O(2)在不对称单元中以两个独立但非常相似的分子（A和B）结晶。每个分子中的吡唑环具有信封式构象。在A中吡唑环平均平面与苯环之间的二面角为86.07 (14)°，在B中为85.99 (14)°。在晶体中，A和B分子通过一对O-H⋯O氢键相连，形成二聚体。这些二聚体通过C-H⋯O相互作用进一步相连，形成沿c轴方向传播的-A-B-A-B-链。
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