2,8-Dimethyl-tricyclo-[5.3.1.1]dodecane-syn-2,syn-8-diol-propanoic acid (1/1).

ABSTRACT: The racemic title compound, C(14)H(24)O(2)·C(3)H(6)O(2), crystallizes in the monoclinic space group P2(1)/c as a 1:1 diol/carboxylic acid cocrystal, A-B. The lattice incorporates infinite chains of the alcohol-carboxylic acid-alcohol supra-molecular synthon, (?O-H?O=C(R)-O-H?O-H?), in which the hydrogen-bonded mol-ecules (A-B-A)(n) surround a pseudo-threefold screw axis. The carboxylic acid group functions like an extended alcohol hydr-oxy group. Each diol, A, takes part in two such threefold screw arrangements, leading to a hydrogen-bonded layer structure, with adjacent layers containing diol mol-ecules of opposite handedness. The central C atom of the propano bridge is disordered over two sites of occupancies 0.75?(1) and 0.25?(1). The methyl group of the propanoic acid molecule is disordered over two sites of occupancies 0.68?(1) and 0.32?(1).

SUBMITTER: Mizobe Y 

PROVIDER: S-EPMC2969646 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature