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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.

ABSTRACT: 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.

SUBMITTER: Wang YZ

PROVIDER: S-EPMC3008971 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

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

Project description:In the title complex, [Co(SO(4))(C(9)H(8)N(6))(H(2)O)(4)]·2H(2)O, the Co(II) ion is six-coordinated by one N atom from a 1H-1,2,3-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole ligand, one O atom from a monodentate sulfate ligand and four water mol-ecules in a slightly distorted octa-hedral geometry. The sulfate ligand is rotationally disordered over two sets of sites with refined occupancies of 0.662?(15) and 0.338?(15). In the crystal, complex mol-ecules and solvent water mol-ecules are linked through inter-molecular O-H?O and O-H?N hydrogen bonds into a three-dimensional network.

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

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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-κN(4)}(sulfato-κO)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-(1H-1,2,3-Benzotriazol-1-yl)-2-(4-meth-oxy-phen-yl)ethanone.

Project description:In the title compound, C(15)H(13)N(3)O(2), the dihedral angle between the benzotriazole ring system (r.m.s. deviation = 0.0124?Å) and the benzene ring is 76.21?(3)°. The meth-oxy C atom deviates from its benzene ring plane by 0.063?(2)Å. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R(2) (2)(12) loops.

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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.

| S-EPMC2914979 | biostudies-literature

Poly[?(2)-aqua-bis-[?(4)-2-(1H-1,2,3-benzotriazol-1-yl)acetato]-dipotassium].

Project description:In the title compound, [K(2)(C(8)H(6)N(3)O(2))(2)(H(2)O)](n), each K(+) ion is seven-coordinated by one O atom from a bridging water mol-ecule, five carboxyl-ate O atoms and one N atom from a benzotriazole group, forming a distorted mono-capped octa-hedral geometry. In the crystal, the carboxyl-ate groups act as bridging ligands, forming a two-dimensional polymer parallel to (001). The aqua ligand, which lies on a twofold rotation axis, forms inter-molecular O-H?O hydrogen bonds within these layers.

| S-EPMC3343796 | biostudies-literature

(1H-1,2,3-Benzotriazol-1-yl)methyl benzoate.

Project description:In the title compound, C(14)H(11)N(3)O(2), the dihedral angle between the phenyl ring and the benzotriazole ring system is 76.80 (19)° and the mol-ecule has an L-shaped conformation. In the crystal, weak aromatic π-π stacking is observed, the closest centroid-centroid distance being 3.754 (2) Å.

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Project description: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.

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