5-(4-甲氧基苯基)-3-(4-甲基苯基)-4,5-二氢-1H-吡唑-1-甲醛的晶体结构
Crystal structure of 5-(4-meth-oxy-phen-yl)-3-(4-methyl-phen-yl)-4,5-di-hydro-1H-pyrazole-1-carbaldehyde.
作者信息
Adam Farook, Samshuddin Seranthimata, Narayana Badiadka, Ameram Nadiah
机构信息
School of Chemical Sciences, Universiti Sains Malaysia, 18000 Pulau Pinang, Malaysia.
Department of P.G. Studies in Chemistry, Alva's College, Moodbidri, Karnataka 574 227, India.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Dec 31;71(Pt 12):o1093-4. doi: 10.1107/S2056989015023658. eCollection 2015 Dec 1.
In the title compound, C18H18N2O2, the pyrazole ring has a twisted conformation on the CH-CH2 bond. The tolyl ring and the 4-meth-oxy-phenyl ring are inclined to the mean plane of the pyrazole ring by 4.40 (9) and 86.22 (9)°, respectively, while the two aromatic rings are inclined to one another by 88.75 (9)°. In the crystal, mol-ecules are linked via bifurcated C-H⋯(O,O) hydrogen bonds and C-H⋯π inter-actions, forming sheets lying parallel to the ab plane.
在标题化合物C₁₈H₁₈N₂O₂中，吡唑环在CH-CH₂键上具有扭曲构象。甲苯基环和4-甲氧基苯基环分别相对于吡唑环的平均平面倾斜4.40 (9)°和86.22 (9)°，而两个芳香环彼此倾斜88.75 (9)°。在晶体中，分子通过分叉的C-H⋯(O,O)氢键和C-H⋯π相互作用连接，形成平行于ab平面的片层。
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