Network of C-H...O interactions in 4-benzyloxy-3-methoxybenzaldehyde (vanillin benzyl ether).
The title aldehyde, C15H14O3, crystallized in the centrosymmetric space group P2(1)/c with one molecule in the asymmetric unit. Six significant intermolecular C-H...O interactions have C...O distances ranging from 3.405 (2) to 3.802 (2) A and C-H...O angles ranging from 121 to 162 degrees. These six intermolecular interactions link a molecule directly to six neighbors and form a three-dimensional network. The dihedral angle between the best-fit planes of the benzene rings within a molecule is 78.1 (1) degrees. The dihedral angle between the carboxaldehyde-group plane and the best-fit plane of the ring to which it is attached is 3 (1) degrees.
Gerkin
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Department of Chemistry, Ohio State University, Columbus 43210, USA. gerkin@chemistry.ohio-state.edu
D001547:Benzaldehydes / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D008968:Molecular Conformation
D001547:Benzaldehydes; C108289:benzylvanillin