51 research outputs found
Diisobutyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
The asymmetric unit of the title compound, C25H35NO6, contains two independent molecules. In each molecule, the 1,4-dihydropyridine ring adopts a flattened boat conformation. The dihedral angles between the 1,4-dihydropyridine and benzene rings are 87.55 (7) and 87.23 (7)°. In one of these molecules, one of the isobutyl groups is disordered over two sets of sites, with an occupancy ratio of 0.890 (2):0.110 (2). In the crystal, molecules are linked through N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds forming two-dimensional networks parallel to the ab plane. The crystal structure is further stabilized by weak C—H⋯π interactions
1,1′-[4-(4-Methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]diethanone
In the title compound, C18H21NO3, which belongs to the family of calcium channel blockers, the dihydropyridine ring assumes a flattened boat conformation. The two carbonyl units adopt a synperiplanar conformation with respect to the double bonds in the dihydropyridine ring. The methoxyphenyl ring is almost perpendicular to the prydine ring [dihedral angle = 89.01 (7)°]. In the crystal, the molecules are connected by intermolecular N—H⋯O hydrogen bonds
7-Chloro-3,3-dimethyl-9-phenyl-1,2,3,4-tetrahydroacridin-1-one
In the title salt, C21H18ClNO, the quinoline ring system is approximately planar [maximum deviation = 0.035 (2) Å], and forms a dihedral angle of 71.42 (6)° with the attached phenyl ring. The cyclohexanone ring exists in a half-boat conformation. In the crystal packing, C—H⋯O contacts link the molecules into extended supramolecular chains along the c axis
Diammonium 1,1′,3,3′-tetramethyl-2,2′,4,4′,6,6′-hexaoxoperhydro-5,5′-bipyrimidine-5,5′-diide monohydrate
In the title hydrated salt, 2NH4
+·C12H12N4O6
2−·H2O, the two hexahydropyrimidine rings in the dianion are inclined to one another at a dihedral angle of 62.76 (5)°. In the crystal structure, the anions and water molecules are linked into sheets parallel to the bc plane by intermolecular O—H⋯O hydrogen bonds and sustained by C—H⋯O contacts. The linking of the anions and water molecules with the cations by N—H⋯O hydrogen bonds creates a three-dimensional extended network. The crystal structure is further stabilized by very weak C—H⋯π interactions
Dimethyl 4-(4-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
In the title molecule, C19H23NO5, the dihedral angle formed by the benzene ring and the planar part of the dihydropyridine ring is 83.52 (5)°. The dihydropyridine ring adopts a flattened boat conformation. In the crystal, molecules are linked by N—H⋯O hydrogen bonds, generating chains running parallel to [100]. The crystal structure is consolidated by C—H⋯O contacts
Diethyl 2,6-dimethyl-4-p-tolyl-1,4-dihydropyridine-3,5-dicarboxylate
In the title compound, C20H25NO4, the 1,4-dihydropyridine ring adopts a flattened-boat conformation and forms a dihedral angle of 89.77 (8)° with the benzene ring. Intermolecular N—H⋯O hydrogen bonds result in the formation of extended chains parallel to the b axis
Dimethyl 1,4-dihydro-4-(4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
In the title compound, C18H21NO5, the dihydropyridine ring adopts a flattened-boat conformation and its planar part forms a dihedral angle of 84.60 (2)° with the benzene ring. In the crystal, intermolecular N—H⋯O and C—H⋯O hydrogen bonds result in the formation of zigzag layers parallel to (001). These layers are interconnected via C—H⋯π interactions
3-Hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3-nitrophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-one
Each of the cyclohexenone rings in the title compound, C23H27NO6, adopts a half-chair (envelope) conformation with the C atom carrying the methyl groups lying out of the plane defined by the five remaining C atoms; the O atoms lie to the same side of the molecule as the respective >C(CH3)2 atoms. The hydroxy and carbonyl O atoms face each other and are orientated to allow for the formation of two intramolecular O—H⋯O hydrogen bonds. In the crystal, the presence of C—H⋯O contacts leads to the formation of supramolecular chains along the b axis. These aggregate into layers that stack along c
1-(6-Chloro-2-methyl-4-phenyl-3-quinolyl)ethanone
In the title compound, C18H14ClNO, the quinoline ring system is approximately planar with a maximum devation of 0.022 (1) Å and forms a dihedral angle of 62.70 (3)° with the phenyl ring. In the crystal, pairs of C—H⋯O intermolecular hydrogen bonds link neighbouring molecules into inversion dimers, forming R
2
2(14) ring motifs. These inversion dimers are stacked along the b axis. The structure is further stabilized by C—H⋯π interactions
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