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Crystal structure of (2S/2R,3S/3R)-3-hydroxy-2-phenyl-chroman-4-one.

Belguedj R, Bouacida S, Merazig H, Chibani A, Bouraiou A - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: There is also disorder of the phenyl ring but the hy-droxy group was refined as ordered.Both disorder components of the the di-hydro-pyran ring are in a half-chair conformation.Weak C-H⋯π inter-actions link these dimers into ladders along [001].

View Article: PubMed Central - HTML - PubMed

Affiliation: Unité de Recherche de Chimie de l'Environnement et Moléculaire Structurale, CHEMS, Université Constantine1, 25000 , Algeria.

ABSTRACT
In the title mol-ecule, C15H12O3, the C atoms bearing the hy-droxy group and the phenyl ring are disordered over two sets of sites with refined occupancies of 0.573 (7) and 0.427 (7). There is also disorder of the phenyl ring but the hy-droxy group was refined as ordered. The dihedral angles between the benzene ring of the chromane ring system and the phenyl ring are 89.7 (2)° for the major component of disorder and 72.1 (3)° for the minor component. Both disorder components of the the di-hydro-pyran ring are in a half-chair conformation. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(10) graph-set motif. Weak C-H⋯π inter-actions link these dimers into ladders along [001].

No MeSH data available.


Related in: MedlinePlus

Part of the crystal structure of the title compound with hydrogen bonds shown as dashed lines and C—H···π intectations as green unbroken lines. The minor component of disorder is not shown.
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Fap2: Part of the crystal structure of the title compound with hydrogen bonds shown as dashed lines and C—H···π intectations as green unbroken lines. The minor component of disorder is not shown.


Crystal structure of (2S/2R,3S/3R)-3-hydroxy-2-phenyl-chroman-4-one.

Belguedj R, Bouacida S, Merazig H, Chibani A, Bouraiou A - Acta Crystallogr E Crystallogr Commun (2015)

Part of the crystal structure of the title compound with hydrogen bonds shown as dashed lines and C—H···π intectations as green unbroken lines. The minor component of disorder is not shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4384603&req=5

Fap2: Part of the crystal structure of the title compound with hydrogen bonds shown as dashed lines and C—H···π intectations as green unbroken lines. The minor component of disorder is not shown.
Bottom Line: There is also disorder of the phenyl ring but the hy-droxy group was refined as ordered.Both disorder components of the the di-hydro-pyran ring are in a half-chair conformation.Weak C-H⋯π inter-actions link these dimers into ladders along [001].

View Article: PubMed Central - HTML - PubMed

Affiliation: Unité de Recherche de Chimie de l'Environnement et Moléculaire Structurale, CHEMS, Université Constantine1, 25000 , Algeria.

ABSTRACT
In the title mol-ecule, C15H12O3, the C atoms bearing the hy-droxy group and the phenyl ring are disordered over two sets of sites with refined occupancies of 0.573 (7) and 0.427 (7). There is also disorder of the phenyl ring but the hy-droxy group was refined as ordered. The dihedral angles between the benzene ring of the chromane ring system and the phenyl ring are 89.7 (2)° for the major component of disorder and 72.1 (3)° for the minor component. Both disorder components of the the di-hydro-pyran ring are in a half-chair conformation. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(10) graph-set motif. Weak C-H⋯π inter-actions link these dimers into ladders along [001].

No MeSH data available.


Related in: MedlinePlus