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4-(Dec-yloxy)phenyl 2-oxo-7-trifluoro-methyl-2H-chromene-3-carboxyl-ate.

ABSTRACT: The title compound, C27H29F3O5, is a liquid crystal (LC) and exhibits enanti-otropic SmA phase transitions. In the crystal, the dihedral angle between the 2H-chromene ring system and the benzene ring is 62.97?(2)°. The three F atoms of the -CF3 group are disordered over two sets of sites with occupancy factors 0.71?(4):0.29?(4). In the crystal, pairs of C-H?O hydrogen bonds form inversion dimers and generate R 2 (2)(10) rings. The structure also features C-H?F and C-H?? inter-actions along [100] and [010], respectively.

SUBMITTER: Palakshamurthy BS

PROVIDER: S-EPMC3629656 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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4-(Dec-yloxy)phenyl 2-oxo-7-trifluoro-methyl-2H-chromene-3-carboxyl-ate.

Palakshamurthy B S BS Devarajegowda H C HC Srinivasa H T HT Sreenivasa S S Vijithkumar

Acta crystallographica. Section E, Structure reports online 20130328 Pt 4

The title compound, C27H29F3O5, is a liquid crystal (LC) and exhibits enanti-otropic SmA phase transitions. In the crystal, the dihedral angle between the 2H-chromene ring system and the benzene ring is 62.97 (2)°. The three F atoms of the -CF3 group are disordered over two sets of sites with occupancy factors 0.71 (4):0.29 (4). In the crystal, pairs of C-H⋯O hydrogen bonds form inversion dimers and generate R 2 (2)(10) rings. The structure also features C-H⋯F and C-H⋯π inter-actions along [100] ...[more]

PMID: 23634143

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