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(E)-2,2'-[3-(4-Fluoro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).

ABSTRACT: In the title compound, C25H29FO4, each cyclo-hexenone ring has an envelope conformation with the dimethyl-substituted atom as the flap. The hy-droxy and carbonyl groups form two intra-molecular O-H?O hydrogen bonds, as is typical for xanthene derivatives. In the crystal, very weak C-H?O hydrogen bonds link mol-ecules into dimers.

SUBMITTER: Cha JH

PROVIDER: S-EPMC3588420 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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(E)-2,2'-[3-(4-Fluoro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).

Cha Joo Hwan JH Min Sun-Joon SJ Cho Yong Seo YS Lee Jae Kyun JK Park Junghwan J

Acta crystallographica. Section E, Structure reports online 20130220 Pt 3

In the title compound, C25H29FO4, each cyclo-hexenone ring has an envelope conformation with the dimethyl-substituted atom as the flap. The hy-droxy and carbonyl groups form two intra-molecular O-H⋯O hydrogen bonds, as is typical for xanthene derivatives. In the crystal, very weak C-H⋯O hydrogen bonds link mol-ecules into dimers. ...[more]

PMID: 23476580

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2,2'-[(E)-3-(4-Nitro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).

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2,2-[(E)-3,3-Diphenyl-prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-cyclo-hex-2-en-1-one).

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2,2'-[(1E)-3-Phenyl-prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).

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(E)-3-Hy-droxy-5,5-dimethyl-2-(3-phenyl-prop-2-en-1-yl)cyclo-hex-2-en-1-one.

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(E)-2,2'-[3-(2-Nitro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).

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3-Hy-droxy-2-[(2-hy-droxy-4,4-dimethyl-6-oxocyclo-hex-1-en-1-yl)(3-nitro-phen-yl)meth-yl]-5,5-dimethyl-cyclo-hex-2-en-1-one.

Project description:Each of the cyclohexenone rings in the title compound, C(23)H(27)NO(6), adopts a half-chair (envelope) conformation with the C atom carrying the methyl groups lying out of the plane defined by the five remaining C atoms; the O atoms lie to the same side of the mol-ecule as the respective >C(CH(3))(2) atoms. The hy-droxy and carbonyl O atoms face each other and are orientated to allow for the formation of two intra-molecular O-H?O hydrogen bonds. In the crystal, the presence of C-H?O contacts leads to the formation of supra-molecular chains along the b axis. These aggregate into layers that stack along c.

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