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{N,N-Dimethyl-N'-[1-(2-pyrid-yl)ethyl-idene]propane-1,3-diamine}bis(thio-cyanato-?N)-copper(II).

ABSTRACT: In the title complex, [Cu(NCS)(2)(C(12)H(19)N(3))], the Cu(II) atom is five-coordinated in a square-pyramidal geometry defined by one pyridine N, one imine N, and one amine N atom of the tridentate Schiff base ligand and two N-bonded thio-cyanate ions (one of the latter occupying the apical site). The three bridging C atoms and the two terminal C atoms of the Schiff base are disordered over two sets of sites, with occupancies of 0.465?(2) and 0.535?(2).

SUBMITTER: Xue LW

PROVIDER: S-EPMC2983150 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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{N,N-Dimethyl-N'-[1-(2-pyrid-yl)ethyl-idene]propane-1,3-diamine}bis(thio-cyanato-κN)-copper(II).

Xue Ling-Wei LW Zhao Gan-Qing GQ Han Yong-Jun YJ Chen Li-Hua LH Peng Qin-Long QL

Acta crystallographica. Section E, Structure reports online 20100918 Pt 10

In the title complex, [Cu(NCS)(2)(C(12)H(19)N(3))], the Cu(II) atom is five-coordinated in a square-pyramidal geometry defined by one pyridine N, one imine N, and one amine N atom of the tridentate Schiff base ligand and two N-bonded thio-cyanate ions (one of the latter occupying the apical site). The three bridging C atoms and the two terminal C atoms of the Schiff base are disordered over two sets of sites, with occupancies of 0.465 (2) and 0.535 (2). ...[more]

PMID: 21587418

Similar Datasets

{N,N'-Bis[1-(2-pyrid-yl)ethyl-idene]propane-1,2-diamine-κN,N',N'',N'''}bis-(thio-cyanato-κN)manganese(II).

Project description:In the title compound, [Mn(NCS)(2)(C(17)H(20)N(4))], the Mn(II) atom is six-coordinated by the N,N',N'',N'''-tetra-dentate Schiff base ligand and by two trans-N atoms from two thio-cyanate anions, forming a distorted octa-hedral geometry. The dihedral angle between the aromatic rings of the Schiff base is 9.5 (3)°.

| S-EPMC3006985 | biostudies-literature

Aqua-{N,N-dimethyl-N'-[1-(2-pyrid-yl)ethyl-idene]ethane-1,2-diamine-κN,N',N''}bis-(thio-cyanato-κN)nickel(II).

Project description:In the title compound, [Ni(NCS)(2)(C(11)H(17)N(3))(H(2)O)], the Ni(II) ion is six-coordinated by the N,N',N"-tridentate Schiff base N atoms, two cis-positioned N-bound isothio-cyanate groups and one water mol-ecule. In the crystal, O-H⋯S hydrogen bonds link adjacent mol-ecules into infinite layers parallel to the ac plane. The layers are further connected into a three-dimensional network via C-H⋯π inter-actions. The -CH(2)-N(CH(3))(2) fragment is disordered over two sets of sites in a 0.556 (5):0.444 (5) ratio.

| S-EPMC3099768 | biostudies-literature

{N,N'-Bis[1-(2-pyrid-yl)ethyl-idene]propane-1,2-diamine}-bis(thio-cyanato-?N)-nickel(II).

Project description:In the title complex, [Ni(NCS)(2)(C(17)H(20)N(4))], the Ni(2+) ion (site symmetry 2) is coordinated by the N,N,N,N-tetra-dentate Schiff base ligand and two thio-cyanate ligands, forming a distorted NiN(6) octa-hedral geometry, with the thio-cyanate N atoms in a trans orientation. The pendant methyl group of the central propane-1,2-diamine fragment of the ligand is statistically disordered over two sets of positions. In the crystal, weak aromatic ?-? stacking between pyridine rings [centroid-centroid separation = 3.7081?(17)?Å] may help to establish the packing.

| S-EPMC3007198 | biostudies-literature

{N,N'-Bis[1-(pyridin-2-yl)ethyl-idene]-propane-1,3-diamine}-(thio-cyanato-?N)copper(II) tetra-fluoridoborate.

Project description:In the title compound, [Cu(NCS)(C(17)H(20)N(4))]BF(4), the Cu(II) ion is five-coordinated by the four N atoms of the tetra-dentate Schiff base ligand and one N atom of a thio-cyanate ligand, thereby forming a square-pyramidal CuN(5) ccoordination geometry. The dihedral angle between the pyridine rings of the Schiff base is 55.58?(14)°. The F atoms of the tetra-fluoridoborate anion are disordered over two sets of sites with occupancies of 0.614?(3) and 0.386?(3). In the crystal, the components are linked by C-H?F inter-actions.

| S-EPMC3152035 | biostudies-literature

Di-μ-thio-cyanato-κN:S;κS:N-bis-({2-morpholino-N-[1-(2-pyrid-yl)ethyl-idene]ethanamine-κN,N',N''}(thio-cyanato-κN)cadmium).

Project description:In the title complex, [Cd(2)(NCS)(4)(C(13)H(19)N(3)O)(2)], the two Cd(II) ions are bridged by a pair of thio-cyanate N:S-bridging ligands around an inversion center. One terminal thio-cyanate N atom and one N,N',N''-tridentate Schiff base ligand complete a distorted CdN(5)S octa-hedral geometry about each Cd(II) atom. In the crystal, the Schiff base aromatic rings of adjacent mol-ecules are arranged above each other into infinite chains along the a axis with alternate centroid-centroid separations of 3.5299 (13) and 3.7857 (13) Å.

| S-EPMC3051469 | biostudies-literature

{2-Morpholino-N-[1-(2-pyrid-yl)ethyl-idene]ethanamine-κN,N',N''}bis-(thio-cyanato-κN)zinc(II).

Project description:The asymmetric unit of the title compound, [Zn(NCS)(2)(C(13)H(19)N(3)O)], contains two crystallographically independent mol-ecules. In each mol-ecule, the Zn(II) ion is five-coordinated by the N,N',N"-tridentate Schiff base and the N atoms of two thio-cyanate ligands in a distorted square-pyramidal geometry. The two mol-ecules differ mainly in the deviations from the ideal geometry, with τ values of 0.14 and 0.33. In the crystal, inter-molecular C-H⋯S hydrogen bonds are observed. An intra-molecular C-H⋯N hydrogen bond occurs in one of the independent mol-ecules.

| S-EPMC3051787 | biostudies-literature

Aqua-{2-morpholino-N-[1-(2-pyrid-yl)ethyl-idene]ethanamine-κN,N',N''}bis-(thio-cyanato-κN)cobalt(II).

Project description:In the title complex, [Co(NCS)(2)(C(13)H(19)N(3)O)(H(2)O)], the Co(II) ion is six-coordinated by the N,N',N''-tridentate Schiff base, the N atoms of two thio-cyanate ligands and one water mol-ecule in a distorted octa-hedral geometry. Intra-molecular C-H⋯N and C-H⋯O hydrogen bonds occur. In the crystal, inter-molecular O-H⋯O, O-H⋯S, C-H⋯S and S⋯S [3.5546 (18) Å] inter-actions result in an infinite three-dimensional network.

| S-EPMC3051502 | biostudies-literature

Diaqua-bis-(propane-1,3-diamine)-copper(II) bis-[diamminetetra-kis-(thio-cyanato-?N)chromate(III)] dimethyl sulfoxide octa-solvate.

Project description:The ionic title complex, [Cu(C(3)H(10)N(2))(2)(H(2)O)(2)][Cr(NCS)(4)(NH(3))(2)]·8C(2)H(6)OS, consists of complex [Cu(dipr)(2)(H(2)O)(2)](2+) copper cations (dipr is propane-1,3-diamine), complex [Cr(NCS)(4)(NH(3))(2)](-) anions and uncoord-inated solvent dimethyl sulfoxide (DMSO) mol-ecules. All the metal atoms lie on crystallographic centers of symmetry. The cations are connected to the anions through N-H?O hydrogen bonds between the NH(3) mol-ecules of the anion and the water mol-ecules of the cation. The DMSO mol-ecules are involved in hydrogen-bonded linkage of the [Cr(NCS)(4)(NH(3))(2)](-) anions into supra-molecular chains through bridging O atoms. A network of hydrogen bonds as well as short S?S contacts [3.5159?(12) and 3.4880?(12)?Å] between the NCS groups of the complex anions link the mol-ecules into a three-dimensional supra-molecular network.

| S-EPMC3152115 | biostudies-literature

Dichlorido{N,N-dimethyl-N'-[1-(2-pyrid-yl)ethyl-idene]ethane-1,2-diamine-κN,N',N''}manganese(II).

Project description:The asymmetric unit of the title compound, [MnCl(2)(C(11)H(17)N(3))], contains two crystallographically independent mol-ecules with slightly different geometries. In each mol-ecule, the Mn(II) ion is five coordinated by the N,N',N''-tridentate Schiff base and two Cl atoms in a distorted square-pyramidal geometry. In the crystal, C-H⋯Cl hydrogen bonds link adjacent mol-ecules into a three-dimensional network.

| S-EPMC3051723 | biostudies-literature

catena-Poly[[{N,N-dimethyl-N'-[1-(pyridin-2-yl)ethyl-idene]ethane-1,2-diamine-?N,N',N''}(thio-cyanato-?N)cadmium]-?-thio-cyanato-?S:N].

Project description:In the title compound, [Cd(NCS)(2)(C(11)H(17)N(3))](n), the Cd(II) atom is octa-hedrally coordinated by the N,N',N''-tridentate Schiff base ligand and one terminal thio-cyanate N atom. Two trans-N:S-bridging thio-cyanates complete the N(5)S donor set around the Cd atom. In the crystal, adjacent Cd(II) ions are linked by the thio-cyanate N:S-bridges into polymeric chains along the c axis.

| S-EPMC3099776 | biostudies-literature

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