Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 9 (September 2012)


organic compounds



hb6906 scheme

Acta Cryst. (2012). E68, o2619-o2620    [ doi:10.1107/S160053681203365X ]

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

H.-K. Fun, T. S. Chia, S. Samshuddin, B. Narayana and B. K. Sarojini

Abstract: The asymmetric unit of the title compound, C27H16F2N2O4, consists of two crystallographically independent molecules (A and B). In molecule 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 molecule 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 molecule B. The isoindoline ring system in molecule A and the major and minor components of the disordered isoindoline ring system in molecule 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 intramolecular O-H...O hydrogen bond generates an S(6) ring in each molecule. In the crystal, molecules 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).


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