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Six new benzimidazolyl substituted triaryltriazoles, 3-(2-pyridyl)-4-( p-R-phenyl)-5-(2-benzimidazolyl)-1,2,4-triazoles ( L 1: R = OCH3; L 2: R = CH3; L 3: R = H; L 4: R = Br; L 5: R = Cl; L 6: R = F) were successfully synthesized. Yield of L 1-6 is in the range from 61 to 76%. The compounds L 1-6 were characterized by UV-vis, FTIR, 1H-NMR, ESI-MS spectra, and elemental analysis. Additionally, the absolute configurations of L 1-5 were determined by single crystal X-ray crystallography. [ABSTRACT FROM AUTHOR]

A of highly substituted 1 H-pyrazole-5-carboxylates 1 has been developed starting from easily available 4-aryl-2,4-diketoesters 2 and arylhydrazine hydrochlorides 3. More active 2-carbonyl group of 2 was blocked with methoxyamine hydrochloride to give 2-methoxy imine intermediates, which were then subjected to condensation with 3 in situ to provide the desired products 1. In addition, the geometrical configuration of 1aa was unambiguously confirmed by single crystal X-ray crystallography. [ABSTRACT FROM AUTHOR]

Two heterocyclic compounds, 2-( p-bromophenyl)-5-(2-pyridyl)-1,3,4-oxadiazole ( 1) and 3-( p-bromophenyl)-4-phenyl-5-(2-pyridyl)-1,2,4-triazole ( 2) were successfully synthesized and characterized by UV-vis, FTIR, 1H NMR, ESI-MS spectra, elemental analysis, and single crystal X-ray crystallography. The structural analysis indicates that 1 is almost a planar molecule but 2 not. The crystal structure of 1 is stabilized by two kinds of π-π interactions and two types of C-H···N hydrogen bonds, whereas 2 by three kinds of C-H···π interactions and three types of C-H···N hydrogen bonds. Additional, 2 can be prepared directly from 1 in an aniline solution at 190°C in a yield of 70%. [ABSTRACT FROM AUTHOR]

A series of thioether-functionalised imidazolium salts have been prepared and characterized. Subsequent reaction of the thioether-functionalised imidazolium salts with iodomethane affords imidazolium-sulfonium salts composed of doubly charged cations and two different anions. Imidazolium-sulfonium salts containing a single anion type are obtained either by a solvent extraction method or by anion exchange. The imidazolium-sulfonium salts undergo a methyl-transfer reaction on exposure to water, giving rise to a new, singly charged imidazolium salt with iodide introduced at the 2-position of the imidazolium ring. Crystal structures of some of the imidazolium-sulfonium salts were determined by X-ray crystallography providing the topology of the interactions between the dications and the anions. Electrospray ionization mass spectrometry and quantum-chemical calculations were used to rationalise the relative strength of these interactions. [ABSTRACT FROM AUTHOR]

Two novel quinolyl substituted triazoles, 3-( p-methoxyphenyl)-4-amino-5-(2-quinolyl)-1,2,4-triazole ( 5) and 3-( p-methoxyphenyl)-4-phenyl-5-(2-quinolyl)-1,2,4-triazole ( 6), were successfully synthesized. The compound 5 was synthesized under solvothermal conditions, whereas 6 was prepared through a solution method. Both 5 and 6 were characterized with UV-vis, FTIR, 1H-NMR, ESI-MS spectra, and elemental analysis. Additionally, the absolute configurations of 5 and 6 were determined by single-crystal X-ray crystallography. [ABSTRACT FROM AUTHOR]

Triaryltriazoles are of interest in iron(II) complexes designed to study spin-crossover properties. In this study, three new asymmetrical substituted triaryltriazoles, 3-( p-R-phenyl)-4-( p-chlorophenyl)-5-(2-pyridyl)-1,2,4-triazoles (R = OCH3, 5a; Cl, 5b; Br, 5c), were successfully synthesized from 2-picolinic acid by a three-step reaction through an intermediate N-( p-R-phenylcarbonyl)- N′-(2-pyridylcarbonyl)hydrazine ( 4a-4c). Yield of 5a- 5c is in the range from 74 to 87%. The compounds 5a- 5c were characterized by UV, FTIR, 1H-NMR, electrospray ionization mass spectrum spectra, and elemental analysis. Additionally, the absolute configurations of 5a-5c were determined by single crystal X-ray crystallography. [ABSTRACT FROM AUTHOR]

The title compound, C11H8N2O, has two crystallographically independent mol­ecules in the crystal. Each mol­ecule is basically planar except for the O atom. The two N atoms in the mol­ecule show different behaviour as hydrogen-bonding acceptors. One of them is involved in intermolecular O-H⃛N hydrogen bonds which stabilize the crystal packing. [ABSTRACT FROM AUTHOR]

In the title compound, C18H13N5, the two pyridyl rings form dihedral angles of 32.7 (2) and 30.1 (2)° with the triazole ring. The most favoured orientation of the pyridyl rings is that with their N atoms on opposite sides of the triazole ring directed towards the phenyl ring. π-π-Stacking interactions involving pyridyl rings are observed along the a axis at a perpendicular distance of 3.670 (3) Å. This arrangement is further stabilized by weak intermolecular C-H⋯N hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title compound, [Ni(C11H12N3O3)(CH3CO2)(H2O)2]·C2H5OH, the coordination geometry of the NiII atom is a distorted octahedron, with one carbonyl O and two imino N atoms of the hydrazone ligand, together with an acetate O atom, comprising the basal plane, and the two water O atoms occupying axial positions. [ABSTRACT FROM AUTHOR]

In the title compound, 4-(4 H-1,2,4-triazol-4-yl­imino­methyl)­phenol hemi­hydrate, C9H8N4O·0.5H2O or (I)·0.5H2O, mol­ecules of (I) are arranged as layers running along the b axis through intermolecular O-H⋯N and C-H⋯O hydrogen bonds. These layers are stabilized by hydrogen-bonded water mol­ecules to form three-dimensional networks. [ABSTRACT FROM AUTHOR]

In the title mol-ecule, C(11)H(6)F(2)N(2)O(2), the benzene and pyridine rings form a dihedral angle of 32.57 (6)°. The nitro group is tilted with respect to the pyridine ring by 12.26 (9)°. An intra-molecular C-H⋯F hydrogen bond is present. In the crystal, mol-ecules inter-act through π-π stacking inter-actions [centroid-centroid distances = 3.7457 (14) Å], forming columnar arrangements along the b axis. The crystal packing is further enforced by inter-molecular C-H⋯O and C-H⋯N hydrogen bonds.

In the title complex, [Ni(C₃₆H₂₆Cl₄N₄O₂)]·C₃H₆O, two 2,4-dichloro-benzoyl groups are grafted onto the methine groups of the Ni(II) complex Ni(tmtaa) (H₂tmtaa = 5,7,12,14-tetra-methyl-4,11-dihydro-dibenzo[b,i][1,4,8,11]tetra-aza-cyclo-tetra-decine). The complex has the shape of a saddle. The Ni atom is tetra-coordinated by the four N atoms of the macrocycle, forming a slightly tetra-hedrally distorted square-planar geometry. The metal is displaced by 0.0101 (8) Å from the N₄ mean plane. The aromatic rings of the 2,4-dichloro-benzoyl groups form dihedral angles of 87.1 (2) and 82.1 (2)° with the N₄ mean plane.

In the title compound, C(21)H(21)N(3)O(2), the pyridine rings and the benzene ring lie in a propeller arrangement around the central tertiary amine N atom. The dihedral angles formed by the benzene ring with the pyridine rings are 61.0 (3) and 49.6 (3)°, while the dihedral angle between the pyridine rings is 69.7 (3)°. The mol-ecular conformation is stabilized by intramolecular bifurcated O-H⋯N hydrogen bonds. In the crystal, inversion dimers are formed via pairs of C-H⋯N hydrogen bonds.

The title compound, C(20)H(14)N(4)O(2), crystallizes in the ortho-rhom-bic system with a crystallographic twofold axis through the N-N bond. The mol-ecule is non-planar and the dihedral angle between two amide groups is 74.9 (2)°. An intra-molecular N-H⋯N hydrogen bond is present. In the crystal, the mol-ecules are packed in chains running along the c axis through inter-molecular N-H⋯O hydrogen bonds. These chains are further stabilized by inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions leading to the formation of a three-dimensional network.

In the mol-ecule of the title compound, C(15)H(14)N(4), the triazole ring is oriented at dihedral angles of 30.8 (2) and 67.4 (2)° with respect to the pyridine and benzene rings, respectively. The crystal structure is stabilized by C-H⋯N hydrogen-bonding inter-actions, forming chains of mol-ecules along [01].