T. Kavitha

Methyl 4-(3-eth­oxy-4-hydroxy­phen­yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate

In the title compound, C15H18N2O5·H2O, the pyrimidine ring adopts a flattened-boat conformation. The ethoxy group attached to the benzene ring is in an extended conformation. The oxopyrimidine molecules are linked into centrosymmetric R 2 2(20) dimers by O—H⋯O hydrogen bonds. The dimers are linked by N—H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. Adjacent networks are cross-linked via N—H⋯O and O—H⋯O hydrogen bonds involving the water molecules.

N-Butyl­pyridine-4-thio­carboxamide

In the title molecule, C10H14N2S, the n-butyl chain assumes a trans zigzag conformation. The dihedral angle between the pyridine ring and the thioamide plane is 23.38 (8)°. The molecules in the crystal structure are linked by an intermolecular N—H⋯N hydrogen bond.

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.

Crystal Structures of 1, 5-Diacetyl-2, 2, 4-trimethyl-1H-tetrahydro-1, 5-benzodiazepine (DARTMBD) and N 5-Ethoxycarbonyl-2-methyl-2, 4-diphenyl-1H-tetrahydro-1, 5-benzodiazepine (ECRPMBD)

The benzodiazepines, namely 1, 5-Diacetyl-2, 2, 4-trimethyl-1H-tetrahydro-1, 5-ben- zodiazepine (C16H22N2O2), (DARTMBD, CCDC 716181) and N 5-Ethoxycarbonyl-2-methyl-2, 4-diphenyl-1H-tetrahydro-1, 5-benzodiazepine (C25H26N2O2), (ECRPMBD, CCDC 716182) possess potential pharmacological activities. DARTMBD crystallizes in monoclinic space group P21/c with cell parameters: a = 10.0582(3) Å, b = 9.6019(3) °, c = 16.0837(4) °, β = 103.100(1)°, and V = 1512.91(8) °3; ECRPMBD crystallizes in triclinic system, Pī with two crystallographically independent molecules in the asymmetric unit. The cell parameters are: a = 12.2807(4) °, b = 12.8410(5) °, c = 13.9714(4) °, α = 90.626(2)°, β = 105.200(3)°, γ = 100.324(2)°, and V = 2087.84(12)°3. Both the structures were solved by direct methods and refined by full-matrix least-squares procedures to final R-values of 0.0552 and 0.0487, respectively. The benzodiazepine ring in both the structures adopts twist-boat conformation. In DARTMBD, the dimer formation occurs through C–H…O intermolecular interactions whereas in ECRPMBD, the molecules are stabilized by N–H…O, and C–H…O types of hydrogen bonds.

(E)-N-Benzyl-idene-4H-1,2,4-triazol-4-amine.

The title compound, C9H8N4, crystallizes with three independent molecules (A, B and C) per asymmetric unit. The independent molecules differ slightly in their conformations, the dihedral angles between the triazole and phenyl rings in molecules A, B and C being 4.8 (2), 9.7 (2) and 7.2 (2)°, respectively. In the crystal, the independent molecules are linked into a trimer by C—H⋯N hydrogen bonds.

8,9-Dimeth-oxy-5-phenyl-sulfonyl-5H-benzo[b]carbazole.

In the title compound, C24H19NO4S, the benzocarbazole ring system is planar (r.m.s. deviation = 0.016 Å) and forms a dihedral angle of 78.54 (4)° with the sulfonyl-bound phenyl ring. Intramolecular C—H⋯O interactions are observed. A C(8) chain running along the b axis is formed via intermolecular C—H⋯O hydrogen bonds. The chains are linked via weak C—H⋯ π interactions.

3-(4-Methoxy-benz-yl)-2-methyl-1-phenyl-sulfonyl-1H-indole.

There are two crystallographically independent molecules in the asymmetric unit of the title compound, C23H21NO3S. The indole ring system is approximately perpendicular to the sulfonyl phenyl ring in both molecules [dihedral angles = 85.42 (8) and 88.30 (9)°]. C—H⋯O interactions between molecules stabilize the crystal structure.

Trimethyl 1-(2-methyl-1-phenylsulfonyl-1H-indol-3-yl)propane-1,2,3-tricarbox-ylate.

In the title compound, C24H25NO8S, the indole unit is planar and makes a dihedral angle of 79.73 (11)° with the phenyl ring of the sulfonyl substituent. The molecules in the unit cell are stabilized by C—H⋯O and C—H⋯π intermolecular interactions in addition to van der Waals forces.

Ethyl 3-[2-(3,4-dimeth-oxy-benz-yl)-1-phenyl-sulfonyl-1H-indol-3-yl]acrylate chloro-form hemisolvate.

In the title compound, C28H27NO6S·0.5CHCl3, the ethyl acrylate substituent adopts an extented conformation with all torsion angles close to 180°. The chloroform solvent molecule is disordered across an inversion centre and is therefore half occupied. The molecular packing is controlled by intermolecular C—H⋯O interactions.

Cyclo-hexane-1-spiro-2'-imidazolidine-5'-spiro-1''-cyclo-hexan-4'-one.

In the title compound, C13H22N2O, the central imidazolidine ring is in an envelope conformation and the two cyclohexane rings adopt chair conformations. In the crystal structure, the molecules are linked into centrosymmetric R 2 2(8) dimers by pairs of N—H⋯O hydrogen bonds.