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2-Hy-droxy-3-meth-oxy-benzaldehyde (o-vanillin) revisited.

ABSTRACT: The structure of ortho-vanillin, C(8)H(8)O(3), has been revisited with modern methods and at low temperature (100?K). The previous structure [Iwasaki et al. (1976 ?). Acta Cryst. B32, 1264-1266] is confirmed, but geometric precision is improved by an order of magnitude. The C atom of the meth-oxy group lies close to the benzene ring plane, which is the most common geometry for -OMe groups lying ortho to -OH groups on an aromatic ring. The crystal structure displays one intra-molecular O-H?O and three weak inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Shin D

PROVIDER: S-EPMC3414273 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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2-Hy-droxy-3-meth-oxy-benzaldehyde (o-vanillin) revisited.

Shin David D Müller Peter P

Acta crystallographica. Section E, Structure reports online 20120704 Pt 8

The structure of ortho-vanillin, C(8)H(8)O(3), has been revisited with modern methods and at low temperature (100 K). The previous structure [Iwasaki et al. (1976 ▶). Acta Cryst. B32, 1264-1266] is confirmed, but geometric precision is improved by an order of magnitude. The C atom of the meth-oxy group lies close to the benzene ring plane, which is the most common geometry for -OMe groups lying ortho to -OH groups on an aromatic ring. The crystal structure displays one intra-molecular O-H⋯O and ...[more]

PMID: 22904806

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