Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 1 (January 2013)


organic compounds



fb2272 scheme

Acta Cryst. (2013). E69, o34-o35    [ doi:10.1107/S1600536812049227 ]

2,6-Dichloroaniline-4-(2,6-dichloroanilino)pent-3-en-2-one (1/2)

G. J. S. Venter, G. Steyl and A. Roodt

Abstract: The asymmetric unit of the title compound, C6H5Cl2N·2C11H11Cl2NO, is composed of one molecule of an enamino-ketone [i.e. -(2,6-dichlorophenylamino)pent-3-en-2-one] and half a molecule of 2,6-dichloroaniline, the whole molecule of the latter component being generated by twofold rotational symmetry. In this latter molecule, there are two intramolecular N-H...Cl contacts. In the enamino-ketone molecule, there is an N-H...O hydrogen bond of moderate strength, and the dihedral angle between the benzene ring and pentanone fragment [C-C(-N)=C-C(=O)-C; planar within 0.005 (1) Å] is 81.85 (7)°. In the crystal, two molecules of the enamino-ketone are bridged by a molecule of 2,6-dichloroaniline via N-H...O hydrogen bonds of moderate strength. There are also [pi]-[pi] interactions present, involving the benzene rings of inversion-related enamino-ketone molecules [centroid-centroid distance = 3.724 (4) Å].


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