4-[4-(Hept-yloxy)benzo-yloxy]phenyl 2-oxo-7-tri-fluoro-methyl-2H-chromene-3-carboxyl-ate.

ABSTRACT: The title compound, C31H27F3O7, is a liquid crystal and exhibits enanti-otropic SmA and nematic phase transitions. In the crystal, the the 2H-chromene ring system makes dihedral angles of 54.46?(17) and 7.79?(16)°, respectively, with the central benzene ring and 4-(hept-yloxy)benzene ring. The three F atoms of the -CF3 group are disordered over two sets of sites, with an occupancy ratio of 0.62?(3):0.38?(3). The crystal structre features two pairs of C-H?O hydrogen bonds, which form inversion dimers and generate R 2 (2)(10) and R 2 (2)(30) ring patterns. C-H?O inter-actions along [100] and C-H?? inter-actions futher consolidate the packing, leading to a three-dimensional network.

SUBMITTER: Devarajegowda HC 

PROVIDER: S-EPMC3793833 | biostudies-other | 2013

REPOSITORIES: biostudies-other