1. 5-[(4-Ethoxyanilino)methyl]-N-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine
- Author
-
Tadeusz Lis, Iwona Bryndal, Jerzy Cieplik, and Marcin Stolarczyk
- Subjects
Crystallography ,Pyrimidine ,Hydrogen bond ,Chemistry ,Stacking ,General Chemistry ,Dihedral angle ,Condensed Matter Physics ,Ring (chemistry) ,Medicinal chemistry ,Organic Papers ,chemistry.chemical_compound ,QD901-999 ,General Materials Science ,Amine gas treating ,Methyl group - Abstract
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).
- Published
- 2012