(2RS,8aRS)-6-Oxo-1,2,3,4,6,7,8,8a-octahydronaphthalene-2-carboxylic acid

Abstract

Key indicators: single-crystal X-ray study; T = 100 K; mean (C-C) = 0.002 Å; R factor = 0.035; wR factor = 0.088; data-to-parameter ratio = 13.1.The title racemate, C 11 H 14 O 3 , aggregates in the crystal structure as acid-to-ketone O-HÁ Á ÁO hydrogen-bonding catemers whose components are glide-related. The relative stereochemistry at the carboxyl group arises spontaneously during the synthesis. Two intermolecular C-HÁ Á ÁO C close contacts were found, both involving the acid group. Related literature ExperimentalCrystal data