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A new Ag complex based on 1-[(1H-benzimidazol-1-yl)meth-yl]-1H-1,2,4-triazole.

ABSTRACT: In the title complex, bis-{?-1-[(1H-benzimidazol-1-yl)meth-yl]-1H-1,2,4-triazole}disilver(I) dinitrate, [Ag(2)(C(10)H(9)N(5))(2)](NO(3))(2), the Ag(I) ion is nearly linearly coordinated [N-Ag-N angle is 155.72?(14)°] by two 1-[(1H-benzimidazole-1-yl)meth-yl]-1H-1,2,4-triazole (bmt) ligands. In addition, two bmt ligands link two Ag(I) ions, forming a dinuclear unit with an Ag?Ag distance of 5.0179?(15)?Å. The whole complex is generated by an inversion centre. The dinuclear units and the NO(3) (-) counter-ions are connected by N-H?O hydrogen bonds and weak Ag?O inter-actions [2.831?(5), 2.887?(5) and 2.908?(5)?Å], leading to a three-dimensional structure.

SUBMITTER: Wang YZ

PROVIDER: S-EPMC3238699 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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A new Ag complex based on 1-[(1H-benzimidazol-1-yl)meth-yl]-1H-1,2,4-triazole.

Wang Yan-Zhi YZ Zhang Jun J Yang Huai-Xia HX Meng Xiang-Ru XR

Acta crystallographica. Section E, Structure reports online 20111119 Pt 12

In the title complex, bis-{μ-1-[(1H-benzimidazol-1-yl)meth-yl]-1H-1,2,4-triazole}disilver(I) dinitrate, [Ag(2)(C(10)H(9)N(5))(2)](NO(3))(2), the Ag(I) ion is nearly linearly coordinated [N-Ag-N angle is 155.72 (14)°] by two 1-[(1H-benzimidazole-1-yl)meth-yl]-1H-1,2,4-triazole (bmt) ligands. In addition, two bmt ligands link two Ag(I) ions, forming a dinuclear unit with an Ag⋯Ag distance of 5.0179 (15) Å. The whole complex is generated by an inversion centre. The dinuclear units and the NO(3) (-) ...[more]

PMID: 22199576

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A new copper(II) complex based on 1-[(1H-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole.

Project description:The title complex, tetra-aqua-{1-[(1H-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole-?N(4)}(sulfato-?O)copper(II) sesquihydrate, [Cu(SO(4))(C(9)H(8)N(6))(H(2)O)(4)]·1.5H(2)O, is composed of one copper atom, one 1-[(2H-benzotriazol-1-yl)meth-yl]-1-H-1,2,4-triazole (bmt) ligand, one sulfate ligand, four coordin-ated water mol-ecules and one and a half uncoordinated water mol-ecules. The Cu(II) atom is six-coordinated by one N atom from a bmt ligand and five O atoms from the monodentate sulfate ligand and four water mol-ecules in a distorted octa-hedral geometry. In the crystal, adjacent mol-ecules are linked through O-H?O and O-H?N hydrogen bonds involving the sulfate anion and the coordin-ated and uncoordinated water mol-ecules into a three-dimensional network.

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1-(4-Nitro-phenoxy-meth-yl)-1H-1,2,4-triazole.

Project description:The asymmetric unit of the title compound, C(9)H(8)N(4)O(3), contains two independent mol-ecules. The dihedral angles formed by the triazole and benzene rings in the two independent mol-ecules are 83.3 (3) and 86.9 (4)°. The mol-ecular packing involves weak C-H⋯N and C-H⋯O inter-actions, and π-π stacking inter-actions [centroid-to-centroid distance 3.745 (1) Å] between the aromatic rings of pairs of mol-ecules.

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Project description:In the title complex, [Cd(SO(4))(C(9)H(8)N(6))(H(2)O)(4)]·2H(2)O, the Cd(II) ion is six-coordinated by one N atom from a 1-[(1H-1,2,3-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole ligand and by five O atoms from four water mol-ecules and one monodentate sulfate anion in a distorted octa-hedral geometry. The sulfate tetra-hedron is rotationally disordered over two positions in a 0.651 (12):0.349 (12) ratio. In the crystal, adjacent mol-ecules are linked through O-H⋯O and O-H⋯N hydrogen bonds into a three-dimensional network.

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Diaqua-bis-{1-[(1H-benzimidazol-2-yl)meth-yl]-1H-1,2,4-triazole-?N}bis-(2,4,5-tricarb-oxy-benzoato-?O)cadmium dihydrate.

Project description:In the title complex, [Cd(C(10)H(5)O(8))(2)(C(10)H(9)N(5))(2)(H(2)O)(2)]·2H(2)O, the Cd(II) ion lies on an inversion center and is coordinated by two N atoms from two symmetry-related 1-[(1H-benzimidazol-2-yl)meth-yl]-1H-1,2,4-triazole ligands and two O atoms from two monodeprotonated 2,4,5-tricarb-oxy-benzoate anions in equatorial positions and by two water O atoms in axial positions, leading to a distorted octa-hedral environment. In the crystal, complex mol-ecules and solvent water mol-ecules are linked through inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds into a three-dimensional network. Intra-molecular O-H?O hydrogen bonds are also present.

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Tetra-aqua-{1-[(1H-1,2,3-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole}sulfato-zinc(II) dihydrate.

Project description:In the title complex, [Zn(SO(4))(C(9)H(8)N(6))(H(2)O)(4)]·2H(2)O, the Zn(II) ion is six-coordinated by one N atom from a 1-[(1H-1,2,3-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole ligand and five O atoms from one monodentate sulfate anion and four water mol-ecules in a distorted octa-hedral geometry. The sulfate tetra-hedron is rotationally disordered over two positions in a 0.618 (19):0.382 (19) ratio. In the crystal, adjacent mol-ecules are linked through O-H⋯O and O-H⋯N hydrogen bonds involving the cation, the anion, and the coordinated and uncoordinated water mol-ecules into a three-dimensional network.

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Project description:The mol-ecule of the title compound, C(10)H(13)N(5)OS, is approximately planar, the dihedral angle between the triazole and benzene rings being 4.53 (10)°. The amino group adopts a pyramidal configuration. In the crystal structure, mol-ecules are linked into two-dimensional networks parallel to (001) by inter-molecular N-H⋯S and N-H⋯N hydrogen bonds. In addition, an S⋯S short contact of 3.3435 (7) Å is observed.

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

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1-[4-Bromo-2-(tri-fluoro-meth-oxy)phen-yl]-3-methyl-1H-1,2,4-triazole.

Project description:In the title compound, C10H7BrF3N3O, the dihedral angle between the benzene and triazole rings is 23.17?(12)° and the C atom of the -CF3 group deviates from its attached ring plane by 1.147?(3)?Å. In the crystal, mol-ecules are linked by C-H?N inter-actions, generating C(7) chains running along [010].

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3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-meth-oxy-phen-yl)piperazin-1-yl]meth-yl}-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C26H37N5OS, the piperazine ring adopts a chair conformation. The triazole ring forms dihedral angles of 67.85?(9) and 59.41?(9)° with the piperazine and benzene rings, respectively, resulting in an approximate V-shaped conformation for the mol-ecule. An intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. The crystal structure features C-H?? inter-actions, producing a two-dimensional supramolecular architecture.

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3-(1-Adamant-yl)-1-{[4-(2-meth-oxy-phen-yl)piperazin-1-yl]meth-yl}-4-methyl-1H-1,2,4-triazole-5(4H)-thione.

Project description:The title compound, C(25)H(35)N(5)OS, is a functionalized triazoline-3-thione with substituted piperazine and adamantyl substituents attached at the 2- and 5-positions, respectively, of a triazole spacer with an approximately C-shaped conformation of the mol-ecule. The piperazine ring adopts a chair conformation.

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