M. Soriano-garcia, R. V. Iribe, A. L. Silva
Jul 15, 1993
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Journal
Acta Crystallographica Section C-crystal Structure Communications
Abstract
This X-ray diffraction study establishes the molecular structure of the major isomer resulting from the Birch reduction and dialkylation (with EtBr) of 3,5-dimethoxybenzoic acid, according to the procedure of Guzman, Castanedo & Maldonado [Synth. Commun. (1991), 21, 1001-1012]. The six-membered ring adopts a conformation intermediate between the envelope 1 E and the half-chair 1 H 6 conformations, defined by θ=59.2 (9) o , φ=-12 (9) o and Q=0.024 (3) A [Cremer & Pople (1975). J. Am. Chem. Soc. 97, 1354-1358; Boeyens (1978). J. Crystallogr. Spectrosc. Res. 8, 317-320]