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(Cyanato-?N){1-[(E)-phen-yl(pyridin-2-yl-?N)methyl-idene]semicarbazidato-?(2)N(1),O}copper(II).

ABSTRACT: The Cu(II) atom in the title compound, [Cu(C(13)H(11)N(4)O)(NCO)], is N,N',O-chelated by the mono-deprotonated Schiff base ligand and it is also covalently bonded to the nitro-gen end of the cyanate ion. The Cu(II) atom shows a square-planar coordination that is distorted towards square-pyramidal owing to an inter-molecular Cu?N(cyanate) inter-action [2.623?(2)?Å], which gives a centrosymmetric dimer. In the square-planar description, the Cu(II) atom is displaced out of the square plane [r.m.s. deviation = 0.048?Å] by 0.084?(1)?Å in the direction of the apical occupant. In the crystal, adjacent complex dimers are linked by an amine N-H?N hydrogen-bond pair, also giving a centrosymmetric cyclic association [graph set R(2) (2)(8)], generating a linear chain parallel to [110].

SUBMITTER: Kunnath RJ

PROVIDER: S-EPMC3435602 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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(Cyanato-κN){1-[(E)-phen-yl(pyridin-2-yl-κN)methyl-idene]semicarbazidato-κ(2)N(1),O}copper(II).

Kunnath Roji J RJ Prathapachandra Kurup M R MR Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20120823 Pt 9

The Cu(II) atom in the title compound, [Cu(C(13)H(11)N(4)O)(NCO)], is N,N',O-chelated by the mono-deprotonated Schiff base ligand and it is also covalently bonded to the nitro-gen end of the cyanate ion. The Cu(II) atom shows a square-planar coordination that is distorted towards square-pyramidal owing to an inter-molecular Cu⋯N(cyanate) inter-action [2.623 (2) Å], which gives a centrosymmetric dimer. In the square-planar description, the Cu(II) atom is displaced out of the square plane [r.m.s. ...[more]

PMID: 22969475

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