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3-(4-甲氧基苯基)-1-苯基-1H-吡唑-4-甲醛

3-(4-Meth-oxy-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde.

作者信息

Prasath R, Bhavana P, Ng Seik Weng, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o2962-3. doi: 10.1107/S1600536811041808. Epub 2011 Oct 12.

Abstract

Four independent mol-ecules comprise the asymmetric unit of the title compound, C(17)H(14)N(2)O(2). The central pyrazoline ring is flanked by an N-bound benzene ring and a C-bound meth-oxy-substituted benzene ring. The greatest difference between the independent mol-ecules is found in the relative orientations of the benzene rings with the range of dihedral angles being 23.59 (6)-42.55 (6)°. In the crystal, extensive C-H⋯O inter-actions link mol-ecules into layers parallel to (02[Formula: see text]) and these are linked by C-H⋯π contacts.

摘要

标题化合物C(17)H(14)N(2)O(2)的不对称单元由四个独立分子组成。中心吡唑啉环两侧分别为一个与氮相连的苯环和一个与碳相连的甲氧基取代苯环。独立分子之间的最大差异在于苯环的相对取向,二面角范围为23.59 (6)-42.55 (6)°。在晶体中,广泛的C-H⋯O相互作用将分子连接成平行于(02[化学式:见原文])的层,并且这些层通过C-H⋯π接触相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7698/3247369/240a5f09b38a/e-67-o2962-fig1.jpg

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