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

Authors
  • Shin, David
  • Müller, Peter
Type
Published Article
Journal
Acta Crystallographica Section E Structure Reports Online
Publisher
International Union of Crystallography
Publication Date
Aug 01, 2012
Volume
68
Issue
Pt 8
Identifiers
DOI: 10.1107/S1600536812029571
PMID: 22904806
Source
Medline
License
Unknown

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.

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