6-(Hex-5-en-yloxy)naphthalene-2-carb-oxy-lic acid.

ABSTRACT: The asymmetric unit of the title compound, C17H18O3, comprises three independent mol-ecules with similar geometries. In each mol-ecule, the carbonyl group is twisted away from the napthalene ring system, making dihedral angles of 1.0?(2), 1.05?(19)° and 1.5?(2)°. The butene group in all three mol-ecules are disordered over two sets of sites, with a refined occupancy ratio of 0.664?(6):0.336?(6). In the crystal, mol-ecules are oriented with respect to their carbonyl groups, forming head-to-head dimers via O-H?O hydrogen bonds. Adjacent dimers are further inter-connected by C-H?O hydrogen bonds into chains along the a-axis direction. The crystal structure is further stabilized by weak C-H?? inter-actions.

SUBMITTER: Rahman ML 

PROVIDER: S-EPMC4051067 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature