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Bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-?N(4))propan-1-one]bis-(thio-cyanato-?N)copper(II).

ABSTRACT: The title compound, [Cu(NCS)(2)(C(11)H(11)N(3)O)(2)], contains two independent Cu(II) atoms. Each Cu(II) atom, lying on an inversion center, is coordinated by two N atoms from two NCS(-) anions and two N atoms from two monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted square-planar geometry. Two S atoms from adjacent mol-ecules occupy the axial positions with long Cu?S distances [3.0495?(10) and 3.1045?(9)?Å] and complete the overall distorted octahedral coordination sphere. Weak inter-molecular C-H?O hydrogen bonds are present.

SUBMITTER: Cai H

PROVIDER: S-EPMC3414160 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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Bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN(4))propan-1-one]bis-(thio-cyanato-κN)copper(II).

Cai Hua H Guo Ying Y Li Jian-Gang JG

Acta crystallographica. Section E, Structure reports online 20120725 Pt 8

The title compound, [Cu(NCS)(2)(C(11)H(11)N(3)O)(2)], contains two independent Cu(II) atoms. Each Cu(II) atom, lying on an inversion center, is coordinated by two N atoms from two NCS(-) anions and two N atoms from two monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted square-planar geometry. Two S atoms from adjacent mol-ecules occupy the axial positions with long Cu⋯S distances [3.0495 (10) and 3.1045 (9) Å] and complete the overall distorted octahedral coordinat ...[more]

PMID: 22904767

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