2,2′-[(4-Butoxyphenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)

IUCrData Pub 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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Abstract

In the title compound, C₂₇H₃₆O₅, both the cyclohexenone rings adopt envelope conformations.

In the title compound, C₂₇H₃₆O₅, the dihedral angles between the planes of the benzene ring and the cyclohexenone rings are 60.87 (10) and 65.04 (10)°, while the dihedral angle between the mean planes of the two cyclohexenone rings is 39.33 (10)°. Each cyclohexenone 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 hydroxy and carbonyl oxygen atoms allows for the formation of two intramolecular O—H⋯O hydrogen bonds and C—H⋯π (ring) interactions also help to establish the molecular conformation.

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

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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