Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)


organic compounds



is5217 scheme

Acta Cryst. (2012). E68, o3412    [ doi:10.1107/S160053681204665X ]

5-[(3,5-Dichloroanilino)methyl]-N-(3,5-dichlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine

J. Cieplik, J. Pluta, I. Bryndal and T. Lis

Abstract: In the title compound, C24H18Cl4N4, the pyrimidine ring makes dihedral angles of 19.1 (2), 4.1 (2) and 67.5 (2)°, respectively, with phenyl and two benzene rings, and the molecular conformation is stabilized by an intramolecular N-H...N hydrogen bond closing a six-membered ring with an S(6) motif. In the crystal, a pair of intermolecular N-H...N hydrogen bonds connect two molecules, forming inversion dimers with R22(12) motifs. C-H...[pi] interactions links the dimers into a chain running along the a-axis direction. There are also [pi]-[pi] stacking interactions [centroid-centroid distance = 3.666 (4) Å] between the benzene rings of adjacent chains.


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