5-[(4-Eth-oxy-anilino)meth-yl]-N-(2-fluoro-phen-yl)-6-methyl-2-phenyl-pyrimidin-4-amine.
The asymmetric unit of the title compound, C(26)H(25)FN(4)O, consists of two symmetry-independent mol-ecules, denoted A and B. The conformation of each mol-ecule is mainly determined by an intra-molecular 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 mol-ecule A, and 15.9 (2), 2.7 (2) and 61.8 (2)° in mol-ecule B. Inter-molecular N-H⋯N hydrogen bonds and π-π stacking inter-actions between pyrimidine rings [centroid-centroid distance = 3.692 (4) Å] connect mol-ecules A and B into dimers and C-H⋯O hydrogen bonds link the dimers into zigzag chains along [011]. The (4-eth-oxy-anilino)methyl group of the B mol-ecule is disordered over two sets of sites, the occupancy factor for the major component being 0.900 (2).
Jerzy
J
Cieplik
Marcin
M
Stolarczyk
Iwona
I
Bryndal
Tadeusz
T
Lis