STRUCTURE OF 1,4-DIETHYL-3,5-DIMETHOXY-1,4-DIHYDROBENZOIC ACID

Citation
M. Sorianogarcia et al., STRUCTURE OF 1,4-DIETHYL-3,5-DIMETHOXY-1,4-DIHYDROBENZOIC ACID, Acta crystallographica. Section C, Crystal structure communications, 49, 1993, pp. 1404-1406
Citations number
4
Categorie Soggetti
Crystallography
ISSN journal
01082701
Volume
49
Year of publication
1993
Part
7
Pages
1404 - 1406
Database
ISI
SICI code
0108-2701(1993)49:<1404:SO1A>2.0.ZU;2-Z
Abstract
This X-ray diffraction study establishes the molecular structure of th e major isomer resulting from the Birch reduction and dialkylation (wi th EtBr) of 3,5-dimethoxybenzoic acid, according to the procedure of G uzman, Castanedo & Maldonado [Synth. Commun. (1991), 21, 1001-1012]. T he six-membered ring adopts a conformation intermediate between the en velope 1E and the half-chair H-1(6) conformations, defined by theta = 59.2(9)-degrees, phi = - 12 (9)-degrees and Q = 0.024 (3) angstrom [Cr emer & Pople (1975). J. Am. Chem. Soc. 97, 1354-1358; Boeyens (1978). J. Crystallogr. Spectrosc. Res. 8, 317-320].