N-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)-4,4''-difluoro-5'-hy-droxy-1,1':3',1''-terphenyl-4'-carboxamide.

ABSTRACT: The asymmetric unit of the title compound, C(27)H(16)F(2)N(2)O(4), consists of two crystallographically independent mol-ecules (A and B). In mol-ecule B, the isoindoline-1,3-dione ring system is disordered over two set of sites with a site-occupancy ratio of 0.658?(12):0.342?(12). In mol-ecule A, the fluoro-substituted benzene rings make dihedral angles of 18.36?(8) and 46.37?(8)° with the central benzene ring, whereas the corresponding angles are 40.90?(8) and 52.89?(9)° in mol-ecule B. The isoindoline ring system in mol-ecule A and the major and minor components of the disordered isoindoline ring system in mol-ecule B make dihedral angles of 58.50?(4), 54.13?(16) and 70.01?(28) °, respectively, with their attached benzene rings, linked through the amide group. An intra-molecular O-H?O hydrogen bond generates an S(6) ring in each mol-ecule. In the crystal, mol-ecules are linked by N-H?O, C-H?F and C-H?O hydrogen bonds into sheets lying parallel to the bc plane. The crystal studied was a non-merohedral twin with a refined twin component ratio of 0.9316?(8):0.0684?(8).

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3435648 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature