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4-(3-Methyl-phen-yl)-3-phenyl-5-(2-pyrid-yl)-4H-1,2,4-triazole.

ABSTRACT: In the title compound, C(20)H(16)N(4), the m-tolyl and phenyl substituents form dihedral angles of 74.20?(6) and 36.94?(8)°, respectively, with the 1,2,4-triazole ring and the dihedral angle between the triazole and pyridine rings is 36.06?(9)°. In the crystal, mol-ecules are linked by C-H?N and C-H?? inter-actions.

SUBMITTER: Gong X

PROVIDER: S-EPMC2971754 | biostudies-literature | 2009

REPOSITORIES: biostudies-literature

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4-(3-Methyl-phen-yl)-3-phenyl-5-(2-pyrid-yl)-4H-1,2,4-triazole.

Gong Xiaoning X Wang Zuoxiang Z Liu Yan Y

Acta crystallographica. Section E, Structure reports online 20091125 Pt 12

In the title compound, C(20)H(16)N(4), the m-tolyl and phenyl substituents form dihedral angles of 74.20 (6) and 36.94 (8)°, respectively, with the 1,2,4-triazole ring and the dihedral angle between the triazole and pyridine rings is 36.06 (9)°. In the crystal, mol-ecules are linked by C-H⋯N and C-H⋯π inter-actions. ...[more]

PMID: 21578922

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3,4-Bis(2-pyrid-yl)-5-(3-pyrid-yl)-4H-1,2,4-triazole.

Project description:In the title mol-ecule, C(17)H(12)N(6), the 2-pyridyl rings in the 3- and 4-positions and the 3-pyridyl ring in the 5-position make dihedral angles of 29.78?(16), 67.06?(16) and 32.97?(16)°, respectively, with the triazole group. The dihedral angle between the two 2-pyridyl rings is 65.72?(15)°. The dihedral angles between the 3-pyridyl ring and the two 2-pyridyl rings in the 3- and 4-positions are 61.28?(15) and 63.11?(15)°, respectively. In the crystal, C-H?? and ?-? inter-actions [centroid-centroid distance = 3.6248?(19)?Å] link the mol-ecules, forming a two-dimensional network.

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Dichloridobis[3-methyl-4-phenyl-5-(2-pyrid-yl)-4H-1,2,4-triazole-κN,N]copper(II) 3.33-hydrate.

Project description:In the title compound, [CuCl(2)(C(14)H(12)N(4))(2)]·3.33H(2)O, the Cu(II) atom is coordinated by two chelating 3-methyl-4-phenyl-5-(2-pyrid-yl)-1,2,4-triazole ligands and two chloride anions in a distorted octa-hedral geometry with a CuN(2)N(') (2)Cl(2) chromophore. The Cu atom is located on an inversion center. Two uncoordinated water mol-ecules lie on threefold rotation axes with disordered H atoms. Two hydrogen bonds are formed between the water mol-ecules, and another between water and a chlorido ligand.

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4-(4-Chloro-phen-yl)-5-(4-nitro-phen-yl)-3-phenyl-4H-1,2,4-triazole.

Project description:The title compound, C(20)H(13)ClN(4)O(2), was synthesized by the condensation of 4-nitro-benzohydrazide and N-(4-chlorophen-yl)-benzimidoyl chloride in N,N-dimethyl-acetamide. The asymmetric unit contains two independent mol-ecules. In one molecule, the triazole ring is oriented at dihedral angles of 23.1?(5), 85.4?(1) and 10.5?(1)° with respect to the phenyl, chlorophenyl and nitrophenyl rings, respectively. In the other molecule, the corresponding dihedral angles are 29.8?(9), 73.4?(7) and 16.4?(3)°.

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3-{1-[4-(2-Methyl-prop-yl)phen-yl]eth-yl}-4-phenyl-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C(20)H(23)N(3)S, the central 1,2,4-triazole ring makes dihedral angles of 69.76?(9) and 81.69?(8)°, respectively, with the phenyl and benzene rings. In the crystal, mol-ecules are linked into a centrosymmetric dimer by a pair of inter-molecular N-H?S hydrogen bonds, generating an R(2) (2)(8) ring motif.

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Dichloridobis[3-meth-oxy-methyl-4-phenyl-5-(2-pyrid-yl)-4H-1,2,4-triazole-κN,N]chromium(III) chloride.

Project description:In the title complex, [CrCl(2)(C(15)H(14)N(4)O)(2)]Cl, the Cr(III) atom is located on a twofold rotation axis and is coordinated by two N,N'-bidentate triazole derivatives and two chloride ions in a distorted octa-hedral CrN(2)N'(2)Cl(2) geometry. One of the two independent Cl(-) counter-anions sits on a special position (site symmetry [Formula: see text].) and is fully occupied, whereas the other is disordered around a twofold rotation axis over two positions in a 2:3 ratio.

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3-Methyl-4-(3-methyl-phen-yl)-5-(2-pyridyl)-4H-1,2,4-triazole.

Project description: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].

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catena-Poly[[dibromidozinc(II)]-?-4-(3-pyrid-yl)-4H-1,2,4-triazole].

Project description:The title complex, [ZnBr(2)(C(7)H(6)N(4))](n), was formed under hydro-thermal conditions using the ligand 4-(3-pyrid-yl)-4H-1,2,4-triazole (L). The unique Zn(II) ion is coordinated by one triazole N atom, one pyridine N atom and two Br atoms in a slightly distorted tetra-hedral coordination environment. Symmetry-related Zn(II) ions are connected by bridging L ligands into chains parallel to [001] in which the Zn?Zn separation is 8.643?(7)?Å. In the crystal structure, weak inter-molecular C-H?Br hydrogen bonds link the chains into a three-dimensional network.

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4-Amino-3-(4-pyrid-yl)-1,2,4-triazole-5(4H)-thione.

Project description:In the title mol-ecule, C(7)H(7)N(5)S, the pyridyl and triazole rings form a dihedral angle of 20.07 (6)°. Inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into chains extended in the direction [10]. Further stability is provided by π⋯π stacking inter-actions, indicated by short distances between the centroids of triazole rings [3.480 (5) Å] and pyridyl rings [3.574 (5) Å] of neighbouring mol-ecules.

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4,4',5,5'-Tetra-phenyl-3,3'-[methyl-idene-bis(sulfanedi-yl)]bis-(4H-1,2,4-triazole).

Project description:The asymmetric unit of the title compound, C(29)H(22)N(6)S(2), contains one half-mol-ecule situated on a twofold rotational axis. The two triazole rings form a dihedral angle of 27.6?(2)°. In the crystal, weak inter-molecular C-H?N hydrogen bonds link the mol-ecules into ribbons extending along [001].

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Dichlorido[3-meth-oxy-methyl-4-phenyl-5-(2-pyrid-yl)-4H-1,2,4-triazole-?N,N]copper(II).

Project description:In the title complex, [CuCl(2)(C(15)H(14)N(4)O)], the Cu(II) atom possesses a highly distorted square-planar geometry with N-Cu-N and Cl-Cu-Cl angles of 79.86?(8) and 98.65?(3)°, respectively, while the Cl-Cu-N angles fall into two distinct groups with values of 95.26?(6), 98.75?(6), 150.56?(6) and 152.04?(6)°. The pyridyl ring is twisted by 9.4?(2)° with respect to the triazole ring, which is oriented at approximately right angles [84.66?(8)°] with respect to the phenyl ring.

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