Wydział Chemii

Jerzy Cieplik

Marcin Stolarczyk

Iwona Bryndal

Tadeusz Lis

2012

Acta Crystallographica Section E: Structure Reports Online

E68

o1729-o1730, 1-14

10.1107/S1600536812021046

Naukowa

Angielski

Artykuł

The asymmetric unit of the title compound, C₂₆H₂₅FN₄O, consists of two symmetry-independent mol­ecules, denoted A and B. The conformation of each mol­ecule is mainly determined by an intra­molecular N—H⋯N hydrogen bond, which closes a six-membered ring. The dihedral angles between the pyrimidine ring and the phenyl, fluorophenyl and ethoxyphenyl rings are 15.4 (2), 28.4 (2) and 77.5 (2)°, respectively, in mol­ecule A, and 15.9 (2), 2.7 (2) and 61.8 (2)° in mol­ecule B. Inter­molecular N—H⋯N hydrogen bonds and π–π stacking inter­actions between pyrimidine rings [centroid–centroid distance = 3.692 (4) Å] connect mol­ecules A and B into dimers and C—H⋯O hydrogen bonds link the dimers into zigzag chains along [011]. The (4-eth­oxy­anilino)methyl group of the B mol­ecule is disordered over two sets of sites, the occupancy factor for the major component being 0.900 (2).

CC-BY

https://doi.org/10.1107/S1600536812021046