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1-环己基-5-(4-甲氧基苯基)-1H-吡唑-4-羧酸

1-Cyclo-hexyl-5-(4-meth-oxy-phen-yl)-1H-pyrazole-4-carb-oxy-lic acid.

作者信息

Fun Hoong-Kun, Quah Ching Kheng, Chandrakantha B, Isloor A M, Shetty Prakash

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3513. doi: 10.1107/S1600536811050872. Epub 2011 Nov 30.

Abstract

In the title compound, C(17)H(20)N(2)O(3), the meth-oxy-phenyl unit is disordered over two sets of sites in a 0.715 (4):0.285 (4) ratio. The pyrazole ring forms dihedral angles of 55.88 (16) and 72.6 (4)° with the benzene rings of its major and minor components, respectively. The cyclo-hexane ring adopts a chair conformation and its C-N bond is in an equatorial orientation. In the crystal, mol-ecules are linked into inversion dimers by pairs of O-H⋯O hydrogen bonds, generating R(2) (2)(8) loops.

摘要

在标题化合物C(17)H(20)N(2)O(3)中,甲氧基苯基单元在两组位置上无序排列,比例为0.715 (4):0.285 (4)。吡唑环与其主要和次要组分的苯环分别形成55.88 (16)°和72.6 (4)°的二面角。环己烷环呈椅式构象,其C-N键处于赤道取向。在晶体中,分子通过O-H⋯O氢键对连接成反演二聚体,形成R(2) (2)(8)环。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5866/3239134/fe31bd66c4ce/e-67-o3513-fig1.jpg

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