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

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?? inter-actions link these dimers into ladders along [001].

SUBMITTER: Belguedj R

PROVIDER: S-EPMC4384603 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

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

Belguedj Roumaissa R Bouacida Sofiane S Merazig Hocine H Chibani Aissa A Bouraiou Abdelmalek A

Acta crystallographica. Section E, Crystallographic communications 20150128 Pt 2

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- ...[more]

PMID: 25878868

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