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Crystal structure of 3-[4-(benz-yloxy)phen-yl]-2,3-di-hydro-1H-benzo[f]chromen-1-one.

ABSTRACT: In the title compound, C26H20O3, the pyran ring has a distorted half-chair conformation and its mean plane is inclined to the naphthalene ring system, to which it is fused, by 10.79?(9)°. The dihedral angles between the napthalene unit and the benzene and phenyl rings are 54.39?(9) and 52.65?(12)°, respectively, while the benzene and phenyl rings are inclined to one another by 74.80?(14)°. There is a short C-H?O contact in the chromen-1-one unit. In the crystal, mol-ecules are linked by two pairs of C-H?O hydrogen bonds, forming inversion dimers described by graph set motifs R 2 (2)(8) and R 2 (2)(10), giving rise to chains running parallel to (101). The chains are linked via C-H?? inter-actions, forming sheets lying parallel to (010).

SUBMITTER: Vasanthi R

PROVIDER: S-EPMC4257196 | biostudies-literature | 2014 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of 3-[4-(benz-yloxy)phen-yl]-2,3-di-hydro-1H-benzo[f]chromen-1-one.

Vasanthi R R Reuben Jonathan D D Ezhilarasi K S KS Sathya S S Usha G G

Acta crystallographica. Section E, Structure reports online 20140920 Pt 10

In the title compound, C26H20O3, the pyran ring has a distorted half-chair conformation and its mean plane is inclined to the naphthalene ring system, to which it is fused, by 10.79 (9)°. The dihedral angles between the napthalene unit and the benzene and phenyl rings are 54.39 (9) and 52.65 (12)°, respectively, while the benzene and phenyl rings are inclined to one another by 74.80 (14)°. There is a short C-H⋯O contact in the chromen-1-one unit. In the crystal, mol-ecules are linked by two pair ...[more]

PMID: 25484704

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