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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—HN 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—HO 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).
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—HN 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—HO 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).organic compoundsOpen access
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In the title compound, C25H23FN4, the pyrimidine ring makes dihedral angles of 11.3 (2), 24.5 (2) and 70.1 (2)° with the phenyl and two benzene rings, and the molecular conformation is stabilized by an intramolecular N—HN hydrogen bond with an S(6) ring motif. In the crystal, a pair of weak C—HF hydrogen bonds link two molecules into an inversion dimer with an R22(16) motif. In the dimer, there is also an intermolecular π–π stacking interaction [centroid–centroid distance = 3.708 (4) Å] between the fluorinated benzene rings. The dimers are further linked by a C—Hπ interaction, so forming a column along the c axis.
N hydrogen bond with an S(6) ring motif. In the crystal, a pair of weak C—HF hydrogen bonds link two molecules into an inversion dimer with an R22(16) motif. In the dimer, there is also an intermolecular π–π stacking interaction [centroid–centroid distance = 3.708 (4) Å] between the fluorinated benzene rings. The dimers are further linked by a C—Hπ interaction, so forming a column along the c axis.organic compoundsOpen access
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In the title compound, C24H18Cl4N4, the pyrimidine ring makes dihedral angles of 19.1 (2), 4.1 (2) and 67.5 (2)°, respectively, with phenyl and two benzene rings, and the molecular conformation is stabilized by an intramolecular N—HN hydrogen bond closing a six-membered ring with an S(6) motif. In the crystal, a pair of intermolecular N—HN hydrogen bonds connect two molecules, forming inversion dimers with R22(12) motifs. C—Hπ interactions links the dimers into a chain running along the a-axis direction. There are also π–π stacking interactions [centroid–centroid distance = 3.666 (4) Å] between the benzene rings of adjacent chains.
N hydrogen bond closing a six-membered ring with an S(6) motif. In the crystal, a pair of intermolecular N—HN hydrogen bonds connect two molecules, forming inversion dimers with R22(12) motifs. C—Hπ interactions links the dimers into a chain running along the a-axis direction. There are also π–π stacking interactions [centroid–centroid distance = 3.666 (4) Å] between the benzene rings of adjacent chains.
