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N-(4-Meth-oxy-phen-yl)-6-methyl-2-phenyl-5-{[4-(tri-fluoro-meth-yl)anilino]meth-yl}pyrimidin-4-amine

Authors :
Tadeusz Lis
Iwona Bryndal
Jerzy Cieplik
Janusz Pluta
Source :
Acta Crystallographica Section E: Structure Reports, Acta Crystallographica Section E, Vol 69, Iss 12, Pp o1831-o1832 (2013)
Publication Year :
2013

Abstract

The title compound, C26H23F3N4O, crystallizes with two symmetry-independent molecules in the asymmetric unit, denotedAandB, which differ mainly in the rotation of the methoxyphenyl ring. The –CF3group of moleculeBis 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 moleculeA, and 9.3 (2), 5.3 (2) and 79.7 (2)° in moleculeB. An intramolecular N—H...N hydrogen bond occurs in each molecule. In the crystal, two crystallographically independent molecules associate into a dimerviaa pair of N—H...N hydrogen bonds, with a resultingR22(12) ring motif and π–π stacking interactions [centroid–centroid distance = 3.517 (4) Å] between the pyrimidine rings. For theAmolecules, 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 theBmolecules.

Details

ISSN :
16005368
Volume :
69
Issue :
Pt 12
Database :
OpenAIRE
Journal :
Acta crystallographica. Section E, Structure reports online
Accession number :
edsair.doi.dedup.....f3bc3be5dfc939b64b752743c5be12f8