Fang-Fang Jian

Ammonium 2-(2,4-dichloro-phen-oxy)acetate hemihydrate.

The title compound, NH4 +·C8H7Cl2O6 −·0.5H2O, was prepared by the reaction of 2-(2,4-dichlorophenoxy)acetic acid and ammonia in water at 367 K. The molecular structure and packing are stabilized by N—H⋯O and O—H⋯O intermolecular hydrogen-bond interactions.

Synthesis, IR Spectra, Crystal Structure and DFT Studies on 1-Acetyl-3-(4-Chlorophenyl)-5-(4-Methylphenyl)-2-Pyrazoline

1-Acetyl-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-pyrazoline has been synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. Density functional (DFT) calculations have been carried out for the title compound by using the B3LYP method at the 6-311G** basis set level. The calculated results show that the predicted geometry can reproduce well the structural parameters. Predicted vibrational frequencies have been assigned and compared with experimental IR spectra and they are supported each other. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between C0p, m, S0m, H0m and temperatures.

N′-[1-(4-Methoxy­phen­yl)ethyl­idene]acetohydrazide

The title compound, C11H14N2O2, was prepared by the reaction of acetohydrazide and 1-(4-methoxyphenyl)ethanone. In the molecule, all bond lengths and angles are within normal ranges. In the crystal structure, adjacent molecules are linked into a centrosymmetric dimer by intermolecular N—H⋯O hydrogen bonding.

N′-(4-Cyanobenzylidene)thiophene-2-carbohydrazide

In the title compound, C12H9BrN2OS, the dihedral angle between the aromatic rings is 10.0 (2)°. In the crystal structure, inversion dimers linked by pairs of N—H⋯O hydrogen bonds occur, generating R 2 2(8) loops. Weak aromatic π–π stacking [centroid–centroid separations = 3.825 (3) and 3.866 (3) Å] also occurs.

2,6-Bis(2,4-dichloro­benzyl­idene)cyclo­hexa­none

The title compound, C20H14Cl4O, was prepared from a mixture of 2,4-dichlorobenzophenone and cyclohexanone. The dihedral angles formed by the cyclohexane ring and two benzene rings are 39.18 (2) and 60.72 (2)°. There are some weak intramolecular C—H⋯O and C—H⋯Cl hydrogen-bond contacts in the crystal structure.

N′-(1-Phenyl­ethyl­idene)isonicotinohydrazide

The title compound, C14H13N3O, was prepared from hypnone and isoniazid. The dihedral angle between the aromatic rings is 12.21 (2)°. In the crystal, N—H⋯O hydrogen bonds link the molecules into chains propagating in [001] and C—H⋯O interactions consolidate the packing.

N′-(4-Chloro­benzyl­idene)furan-2-carbohydrazide monohydrate

In the title compound, C12H9ClN2O2·H2O, the dihedral angle between the aromatic rings is 13.9 (2)° and an intramolecular N—H⋯O hydrogen bond occurs. In the crystal structure, the components are linked by N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds.

1-[4-(Dimethyl-amino)benzyl-idene]-4-methyl-thio-semicarbazide.

In the title compound, C11H16N4S, an intramolecular N—H⋯N hydrogen bond generates an S(5) ring. In the crystal, inversion dimers linked by pairs of N—H⋯S bonds occur, generating an R 2 2(8) loop.

4-Ethyl-1-(4-methyl-benzyl-idene)thio-semicarbazide.

In the title compound, C11H15N3S, an intramolecular N—H⋯N hydrogen bond generates an S(5) ring. In the crystal, inversion dimers linked by pairs of N—H⋯S bonds occur, generating an R 2 2(8) loop.

2-Hydroxy-benzoic acid-purin-6-amine (3/1).

In the title 3:1 adduct, 3C7H6O3·C5H5N5, an intramolecular O—H⋯O hydrogen bond occurs in each of the three 2-hydroxybenzoic acid molecules. In the crystal, the components are linked by N—H⋯O and O—H⋯N hydrogen bonds.