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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.

ABSTRACT: 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.

SUBMITTER: Jin X

PROVIDER: S-EPMC3246925 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

| S-EPMC2960994 | biostudies-literature

4-(4-Meth-oxy-pheneth-yl)-3,5-diphenyl-4H-1,2,4-triazole.

Project description:In the title compound, C(23)H(21)N(3)O, the dihedral angles formed by the mean plane of the triazole ring [maximum deviation = 0.007?(1)?Å] and the three phenyl rings are 51.13?(8), 52.84?(8) and 47.04?(8)°. In the crystal, mol-ecules are linked by weak C-H?N inter-actions, forming infinite chains propagating along the b-axis direction.

| S-EPMC3275069 | biostudies-literature

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.

| S-EPMC3089253 | biostudies-literature

Bis(2-hy-droxy-benzoato-κO)bis-[3-(4-meth-oxy-phen-yl)-4-(4-methyl-phen-yl)-5-(2-pyrid-yl)-4H-1,2,4-triazole-κN,N]copper(II) dihydrate.

Project description:In the title complex, [Cu(C(7)H(5)O(3))(2)(C(21)H(18)N(4)O)(2)]·2H(2)O, the Cu(II) atom is located on a centre of inversion and exists in a tetra-gonally distorted octahedral geometry with a CuN(4)O(2) chromophore. The intra-molecular O-H⋯O hydrogen bond is highly strained due to the mol-ecular geometry and, as a result, is much shorter than expected. Inter-molecular C-H⋯O and C-H⋯O inter-actions are also observed.

| S-EPMC3120391 | biostudies-literature

4-Amino-3-(3-meth-oxy-benz-yl)-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title mol-ecule, C10H12N4SO, the triazole ring forms a dihedral angle of 73.0?(5)° with the benzene ring. The meth-oxy group is approximtely coplanar with the benzene ring with a C C-O-Cmeth-yl torsion angle of 4.7?(3)°. In the crystal, N-H?S hydrogen bonds connect pairs of inversion-related mol-ecules, which are in turn connected by N-H?N hydrogen bonds into chains of rings along [010]. Weak C-H?O hydrogen bonds connect these chains into a two-dimensional network parallel to (-102).

| S-EPMC3648260 | biostudies-literature

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.

| S-EPMC3200827 | biostudies-other

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.

| S-EPMC3007524 | biostudies-literature

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

Project description: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.

| S-EPMC2971754 | biostudies-literature

4-Ethyl-3-(3-pyrid-yl)-1H-1,2,4-triazole-5(4H)-thione 0.095-hydrate.

Project description:The title compound, C(9)H(10)N(4)S·0.095H(2)O, consists of discrete 4-ethyl-3-(3-pyrid-yl)-1H-1,2,4-triazole-5(4H)-thione mol-ecules and a disordered mol-ecule of water of hydration with partial occupancy, lying on a twofold rotation axis. The dihedral angle between the pyridine and triazole rings is 41.73?(8)°. In the crystal structure, mol-ecules are hydrogen bonded via triazole NH groups and pyridyl N atoms, forming chains parallel to the a axis.

| S-EPMC2961273 | biostudies-literature

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 ??? 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.

| S-EPMC2915274 | biostudies-other

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