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

ABSTRACT: 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.

SUBMITTER: Yang HX

PROVIDER: S-EPMC3089299 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

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

Yang Huai-Xia HX Zhang Jun J Zhao Dong D

Acta crystallographica. Section E, Structure reports online 20110416 Pt 5

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 ligan ...[more]

PMID: 21754321

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Project description:In the title complex, [Cu(C(3)H(2)N(3)O(2))(NO(3))(C(12)H(8)N(2))], the Cu(II) ion is coordinated by an N and an O atom from a bidentate 1H-1,2,4-triazole-3-carboxyl-ate (TRIA) ligand, two N atoms from a 1,10-phenanthroline (phen) ligand, and an O atom from a nitrate ligand in a slightly distorted square-pyramidal environment. In the crystal structure, inter-molecular N-H?O hydrogen bonds link mol-ecules into one-dimensional chains propagating along the b axis direction.

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