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2-[5-(2,3-二甲氧基萘-1-基)-4,5-二氢-1-吡唑-3-基]-3-甲氧基苯酚

2-[5-(2,3-Di-meth-oxy-naphthalen-1-yl)-4,5-di-hydro-1-pyrazol-3-yl]-3-meth-oxy-phenol.

作者信息

Sung Jiha

机构信息

Department of Applied Chemistry, Dongduk Women's University, Seoul 136-714, Republic of Korea.

出版信息

IUCrdata. 2023 Aug 10;8(Pt 8):x230668. doi: 10.1107/S2414314623006685. eCollection 2023 Aug.

Abstract

In the title compound, CHNO, the central pyrazoline ring exhibits a nearly planar structure (r.m.s. deviation = 0.025 Å) despite having two carbon atoms. The pyrazoline ring subtends dihedral angles of 4.61 (1) and 87.31 (1)° with the pendant benzene ring and naphthalene ring system, respectively. The dihedral angle between the planes of the benzene ring and the naphthalene ring system is 89.76 (2)°. An intra-molecular O-H⋯N hydrogen bond forms an (6) ring motif. In the crystal, inversion dimers formed by pairwise weak N-H⋯N hydrogen bonds generate (4) loops and the dimers are linked by pairwise C-H⋯O hydrogen bonds [which generate (8) loops] into [100] chains.

摘要

在标题化合物CHNO中,尽管有两个碳原子,但中心吡唑啉环呈现出近乎平面的结构(均方根偏差 = 0.025 Å)。吡唑啉环与悬垂的苯环和萘环系统分别形成4.61(1)°和87.31(1)°的二面角。苯环和萘环系统平面之间的二面角为89.76(2)°。分子内O-H⋯N氢键形成一个(6)环基序。在晶体中,由成对的弱N-H⋯N氢键形成的反演二聚体产生(4)环,并且二聚体通过成对的C-H⋯O氢键[产生(8)环]连接成[100]链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dfaf/10483541/1a7eb2316ec5/x-08-x230668-fig1.jpg

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