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

In the title compound, C<sub>27</sub>H<sub>36</sub>O<sub>5</sub>, 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.

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Publication Details

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IUCrData
Published
2025-02-28
DOI
https://doi.org/10.1107/s2414314625001804
Primary Topic
Crystal structures of chemical compounds
Type
article
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article

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

V. Sughanya, A. Jayaraman, N. Suresh Babu, B. Loganathan et al.
IUCrData
Crystal structures of chemical compounds
article

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

V. Sughanya, A. Jayaraman, N. Suresh Babu, B. Loganathan, S. Anbu Chudar Azhagan
article en

Abstract

In the title compound, C<sub>27</sub>H<sub>36</sub>O<sub>5</sub>, 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.

IUCrDataVol. 10(2)
Openalex Percentile: Top 97%
Crystal structures of chemical compounds
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