2-Hydroxy-3-methoxybenzaldehyde(o-vanillin) revisited

被引：3

作者：

Shin, David ^{[1
]}

Mueller, Peter ^{[2
]}

机构：

[1] Phillips Acad, Andover, MA 01810 USA

[2] MIT, Dept Chem, X Ray Diffract Facil, 77 Massachusetts Ave,Bldg 2,Room 325, Cambridge, MA 02139 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2012年 / 68卷

基金：

美国国家科学基金会;

关键词：

data-to-parameter ratio = 11.6; mean σ(C-C) = 0.002 Å; R factor = 0.034; single-crystal X-ray study; T = 100 K; wR factor = 0.095;

D O I：

10.1107/S1600536812029571

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The structure of ortho-vanillin, C8H8O3, 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 methoxy 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 intramolecular O-H center dot center dot center dot O and three weak intermolecular CH center dot center dot center dot O hydrogen bonds.

引用

页码：02336 / +

页数：16

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