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Crystal structure of (E)-3-(3,4-di-meth-oxy-phen-yl)-1-(1-hy-droxy-naphthalen-2-yl)prop-2-en-1-one.

ABSTRACT: The mol-ecular structure of the title compound, C21H18O4, consists of a 3,4-di-meth-oxy-phenyl ring and a naphthalene ring system linked via a prop-2-en-1-one spacer. The mol-ecule is almost planar, with a dihedral angle between the benzene ring and the naphthalene ring system of 2.68?(12)°. There is an intra-molecular O-H?O hydrogen bond involving the adjacent hy-droxy and carbonyl groups. The mol-ecule has an E conformation about the C=C bond and the carbonyl group is syn with respect to the C=C bond. In the crystal, mol-ecules are linked by bifurcated C-H?(O,O) hydrogen bonds, enclosing an R 2 (1)(6) ring motif, and by a further C-H?O hydrogen bond, forming undulating sheets extending in b- and c-axis directions. There are ?-? inter-actions between the sheets, involving inversion-related naphthalene and benzene rings [inter-centroid distance = 3.7452?(17)?Å], forming a three-dimensional structure.

SUBMITTER: Ezhilarasi KS 

PROVIDER: S-EPMC4420054 | biostudies-other | 2015 May

REPOSITORIES: biostudies-other

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Crystal structure of (E)-3-(3,4-di-meth-oxy-phen-yl)-1-(1-hy-droxy-naphthalen-2-yl)prop-2-en-1-one.

Ezhilarasi K S KS   Reuben Jonathan D D   Vasanthi R R   Revathi B K BK   Usha G G  

Acta crystallographica. Section E, Crystallographic communications 20150430 Pt 5

The mol-ecular structure of the title compound, C21H18O4, consists of a 3,4-di-meth-oxy-phenyl ring and a naphthalene ring system linked via a prop-2-en-1-one spacer. The mol-ecule is almost planar, with a dihedral angle between the benzene ring and the naphthalene ring system of 2.68 (12)°. There is an intra-molecular O-H⋯O hydrogen bond involving the adjacent hy-droxy and carbonyl groups. The mol-ecule has an E conformation about the C=C bond and the carbonyl group is syn with respect to the C  ...[more]