Crystal and molecular structure of lindenenol

Abstract

The crystal structure of the title compound has been determined from a three-dimensional X-ray analysis. Crystals are orthorhombic, space group P2₁2₁2₁, a= 21·008 (6), b= 9·051 (3), c= 13·521 (4)Å; Z= 8, and hence there are two molecules per asymmetric unit. The structure was solved by the symbolic addition procedure, and refined by block-diagonal least-squares calculations to a final R of 0·063 for 1816 independent observed reflexions. The two molecules in the asymmetric unit have nearly identical geometries. Each molecule contains four rings: furan, cyclohexene trans-fused to cyclopentane, and cyclopropane. The cyclopentane ring has an envelope conformation and the cyclohexene ring is in the half-chair form. Both molecules are stacked along the b axis parallel to each other with an interplanar spacing of ca. 3·8 Å.