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 R 2 2(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.

Highlights

  • Experimental a Crystal dataFaculty of Engineering and Economics, Wrocław University of Economics, 118/120 Komandorska St, 53-345 Wrocław, Poland, and dFaculty of Chemistry, University of Wrocław, 14 Joliot-Curie St, 50-383 Wrocław, Poland

  • 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

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Summary

Experimental a Crystal data

Faculty of Engineering and Economics, Wrocław University of Economics, 118/120 Komandorska St, 53-345 Wrocław, Poland, and dFaculty of Chemistry, University of Wrocław, 14 Joliot-Curie St, 50-383 Wrocław, Poland

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