5,8-DIMETHOXY-1-NAPHTHOIC ACID AND METHYL 5,8-DIMETHOXY-1-NAPHTHOATE

Citation
Ac. Blackburn et Re. Gerkin, 5,8-DIMETHOXY-1-NAPHTHOIC ACID AND METHYL 5,8-DIMETHOXY-1-NAPHTHOATE, Acta crystallographica. Section C, Crystal structure communications, 53, 1997, pp. 1077-1080
Citations number
14
Categorie Soggetti
Crystallography
ISSN journal
01082701
Volume
53
Year of publication
1997
Part
8
Pages
1077 - 1080
Database
ISI
SICI code
0108-2701(1997)53:<1077:5AAM5>2.0.ZU;2-W
Abstract
In 5,8-dimethoxy-1-naphthoic acid, C13H12O4, hydrogen bonding is of th e cyclic dimer type. The acid H atom is modelled as being distributed equally over two sites. In addition to the conventional hydrogen bonds , there are three significantly attractive C-H . . . O interactions. T he dihedral angle between the naphthalene core plane and the carboxyl plane is 80.0 (1)degrees. In methyl 5,8-dimethoxy-1-naphthoate, C14H14 O4, there are no conventional hydrogen bonds but there are three signi ficantly attractive C-H . . . O interactions. With the exception of th e C-O distances in the carboxyl groups, the molecular geometries of th e acid and the ester are quite similar.