2,2'-[(4-But-oxy-phen-yl)methyl-ene]bis-(3-hy-droxy-5,5-di-methyl-cyclo-hex-2-en-1-one).

IUCrData Pub Date : 2025-02-28 eCollection Date: 2025-02-01 DOI:10.1107/S2414314625001804
N Suresh Babu, S Anbu Chudar Azhagan, B Loganathan, V Sughanya, J Ayyappan
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引用次数: 0

Abstract

In the title compound, C27H36O5, the dihedral angles between the planes of the benzene ring and the cyclo-hexenone rings are 60.87 (10) and 65.04 (10)°, while the dihedral angle between the mean planes of the two cyclo-hexenone rings is 39.33 (10)°. Each cyclo-hexenone ring has a carbon atom bonded to two methyl groups, which acts as the flap atom, resulting in an envelope conformation. The opposite orientation of the hy-droxy and carbonyl oxygen atoms allows for the formation of two intra-molecular O-H⋯O hydrogen bonds and C-H⋯π (ring) inter-actions also help to establish the molecular conformation.

在标题化合物 C27H36O5 中,苯环平面与环己酮环平面之间的二面角分别为 60.87 (10) ° 和 65.04 (10)°,而两个环己酮环平均平面之间的二面角为 39.33 (10)°。每个环己酮环都有一个碳原子与两个甲基键合,作为瓣原子,形成包络构象。羟基氧原子和羰基氧原子的相反取向使分子内形成两个 O-H⋯O 氢键,C-H⋯π(环)相互作用也有助于建立分子构象。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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