Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 12 (December 2013)


organic compounds



nc2321 scheme

Acta Cryst. (2013). E69, o1831-o1832    [ doi:10.1107/S160053681303170X ]

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

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

Abstract: 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 [pi]-[pi] 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.


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