N-(4-Methoxyphenyl)-6-methyl-2-phenyl-5-{[4-(trifluoromethyl)anilino]methyl}pyrimidin-4-amine

• Main Authors: Tadeusz Lis, Iwona Bryndal, Janusz Pluta, Jerzy Cieplik
• Format: Article
• Language: English
• Published: International Union of Crystallography 2013-12-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S160053681303170X

The title compound, C26H23F3N4O, crystallizes with two symmetry-independent molecules in the asymmetric unit, denoted A and B, which differ mainly in the rotation of the methoxyphenyl ring. The –CF3 group of molecule B is disordered by rotation, with the F atoms split over two sets of sites; the occupancy factor for the major component is 0.853 (4). The dihedral angles between the pyrimidine ring and the attached phenyl, methoxyphenyl and trifluoromethylphenyl rings are 8.1 (2), 37.5 (2) and 70.7 (2)°, respectively, in molecule A, and 9.3 (2), 5.3 (2) and 79.7 (2)° in molecule B. An intramolecular N—H...N hydrogen bond occurs in each molecule. In the crystal, two crystallographically independent molecules associate into a dimer via a pair of N—H...N hydrogen bonds, with a resulting R22(12) ring motif and π–π stacking interactions [centroid–centroid distance = 3.517 (4) Å] between the pyrimidine rings. For the A molecules, there are intermolecular C—H...O hydrogen bonds between an aryl C atom of methoxyphenyl ring and a methoxy O atom of an adjacent molecule. A similar interaction is lacking in the B molecules.