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
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].