In the title hydrate, C16H19N3O3·1.5H2O, both water molecules are disordered: one over two adjacent sites in a 0.498 (5):0.502 (5) ratio and one lying near a crystallographic twofold axis. The dihedral angle between the pyridine rings of the organic moleucle is 1.47 (6)°. In the crystal, the components are linked by N—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds, forming sheets lying parallel to the ac plane.
doi:10.1107/S160053681104921X
PMCID: PMC3239052
PMID: 22199900
The asymmetric unit of the title compound, C9H7N3O2, is composed of two independent molecules. The crystal structure is stabilized by C—H⋯O and C—H⋯N hydrogen bonds, forming a three-dimensional network. The crystal structure also features pyrazine–pyrazine π–π interactions [centroid–centroid distance = 3.6994 (5) Å] and also pyridine–pyrazine π–π interactions [centroid–centroid distance = 3.6374 (5) Å].
doi:10.1107/S1600536811044412
PMCID: PMC3247504
PMID: 22220122
In the title compound, C18H17N3, the dihedral angles between the central pyrimidine ring and its directly-bonded and N-bonded pendant phenyl rings are 25.48 (6) and 80.33 (6)°, respectively. The dihedral angle between the phenyl rings is 79.66 (6)°. In the crystal, inversion dimers linked by pairs of N—H⋯N hydrogen bonds generate R
2
2(8) loops. The crystal structure also features weak π–π [centroid–centroid separation = 3.6720 (7) Å] and C—H⋯π interactions.
doi:10.1107/S1600536811041365
PMCID: PMC3247345
PMID: 22219963
In the title compound, C20H21N3, the pyrimidine ring is inclined at dihedral angles of 51.57 (4) and 2.49 (4)° to the two phenyl rings. The dihedral angle between the two terminal phenyl rings is 50.44 (4)°. In the crystal, adjacent molecules are linked via a pair of N—H⋯N hydrogen bonds, forming an inversion dimer with an R
2
2(8) ring motif. Furthermore, the crystal structure is stabilized by a weak π–π interaction, with a centroid–centroid distance of 3.6065 (5) Å.
doi:10.1107/S160053681104147X
PMCID: PMC3247364
PMID: 22219982
In the title compound, C15H19N3, the pyrimidine ring is approximately planar [maximum deviation = 0.007 (1) Å] and forms a dihedral angle of 3.15 (6)° with the benzene ring. In the crystal packing, intermolecular N—H⋯N hydrogen bonds link pairs of neighbouring molecules into dimers with R
2
2(8) ring motifs. These dimers are stacked along the b axis.
doi:10.1107/S1600536810009384
PMCID: PMC2984044
PMID: 21580688
The asymmetric unit of the title compound, C14H23N5O3·2H2O, contains two crystallographically independent 6-amino-2,5-bis(pivaloylamino)pyrimidin-4(3H)-one molecules (A and B) with similar geometry and four water molecules. In both independent molecules, one of the amide groups is almost coplanar with the pyrimidine ring [dihedral angle of 12.85 (9) in A and 12.30 (10)° in B], whereas the other amide group is significantly twisted away from it [dihedral angle is 72.18 (7) in A and 71.29 (7)° in B]. In each independent molecule, an intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. Molecules A and B are linked into chains along the a axis by N—H⋯O and C—H⋯O hydrogen bonds. Adjacent chains are linked into a two-dimensional network parallel to the ac plane by water molecules via N—H⋯O and O—H⋯O hydrogen bonds.
doi:10.1107/S1600536809019461
PMCID: PMC2969306
PMID: 21582786
The asymmetric unit of the title compound, C20H17N3, contains two crystallographically independent molecules (A and B). In molecule A, the two benzene rings form dihedral angles of 74.12 (7) and 7.83 (7)° with the pyridine ring, while in molecule B these angles are 77.48 (7) and 21.50 (7)°. The seven-membered heterocyclic ring adopts a boat conformation in both molecules. In the crystal structure, each of the independent molecules forms a centrosymmetric R
2
2(8) dimer linked by paired N—H⋯N hydrogen bonds. The crystal structure is further stabilized by intermolecular C—H⋯N hydrogen bonds and C—H⋯π interactions.
doi:10.1107/S1600536809014901
PMCID: PMC2977810
PMID: 21583947
The organic molecule of the title compound, C16H12N6O2·2H2O, lies across a crystallographic inversion centre. The dihedral angle between the pyrimidine and benzene rings is 80.78 (6)°. The two pyrimidine rings are parallel by virtue of the centre of symmetry. The pyrimidine and benzene rings form dihedral angles of 41.41 (7) and 40.26 (7)°, respectively, with the amide plane. The molecules are linked by N—H⋯N and C—H⋯N hydrogen bonds into a two-dimensional network parallel to the (11) plane. O—H⋯O and C—H⋯O hydrogen bonds involving the water molecules link the adjacent layers into a three-dimensional network. In addition, a C—H⋯π interaction involving the benzene ring is observed.
doi:10.1107/S1600536807065683
PMCID: PMC2915323
PMID: 21200832
In the molecular structure of the title hydrazide derivative, C18H26N4O4, the conformations of the two units of 2-(2,2-dimethyl-1-oxopropyl)hydrazide substituents are not planar; these two units are attached axially to the benzene ring with C(ortho)—C—C(=O)—N torsion angles of 28.1 (2) and 31.0 (2)° [where C(ortho) is the C atom at position 4 of the benzene ring relative to the substituent at position 3 or the C atom at position 6 of the benzene ring relative to the substituent at position 1, as appropriate]. The dihedral angles between the hydrazide units and the benzene ring are 62.66 (7) and 63.84 (7)°. In the crystal structure, molecules are arranged in an anti-parallel manner and are linked by N—H⋯O intermolecular hydrogen bonds and weak C—H⋯O intermolecular interactions into a three-dimensional network. The structure is further stabilized by a weak C—H⋯N intramolecular interaction.
doi:10.1107/S1600536807063210
PMCID: PMC2915239
PMID: 21200739