(3,5-二氯-2-羟基苯基){1-[(萘-1-基)碳基]- 1h -吡唑-4-基}甲烷的晶体结构。

IF 0.9
Yoshinobu Ishikawa, Yuya Motohashi
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引用次数: 1

摘要

标题化合物C21H12Cl2N2O3是1,4-二芳基吡唑衍生物,有三个芳香环。萘环体系与吡唑环、吡唑环与苯基环、萘环体系与苯基环的二面角分别为49.44(13)°、49.87(16)°和0.58(11)°。酚质子与相邻的羰基O原子形成分子内O- h⋯O氢键。在晶体中,分子沿a轴方向通过吡唑环之间[质心-质心距离= 3.546(3)]和萘环体系与苯基环之间[质心-质心距离= 3.609 (4)Å]的叠加相互作用连接。分子通过C-H⋯O氢键进一步连接,形成倒置二聚体。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Crystal structure of (3,5-di-chloro-2-hy-droxy-phen-yl){1-[(naphthalen-1-yl)carbon-yl]-1H-pyrazol-4-yl}methanone.

Crystal structure of (3,5-di-chloro-2-hy-droxy-phen-yl){1-[(naphthalen-1-yl)carbon-yl]-1H-pyrazol-4-yl}methanone.

Crystal structure of (3,5-di-chloro-2-hy-droxy-phen-yl){1-[(naphthalen-1-yl)carbon-yl]-1H-pyrazol-4-yl}methanone.

Crystal structure of (3,5-di-chloro-2-hy-droxy-phen-yl){1-[(naphthalen-1-yl)carbon-yl]-1H-pyrazol-4-yl}methanone.

The title compound, C21H12Cl2N2O3, is a 1,4-diaroyl pyrazole derivative and has three aromatic rings. The dihedral angles between the naphthalene ring system and the pyrazole ring, the pyrazole and phenyl rings and the naphthalene ring system and the phenyl ring are 49.44 (13), 49.87 (16) and 0.58 (11)°, respectively. The phenolic proton forms an intra-molecular O-H⋯O hydrogen bond with an adjacent carbonyl O atom. In the crystal, the mol-ecules are linked through stacking inter-actions between the pyrazole rings [centroid-centroid distances = 3.546 (3)] and between the naphthalene ring system and the phenyl ring [centroid-centroid distances = 3.609 (4) Å] along the a-axis direction. The mol-ecules are further connected through C-H⋯O hydrogen bonds, forming inversion dimers.

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来源期刊
自引率
33.30%
发文量
0
审稿时长
1.3 months
期刊介绍: Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.
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