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Catena-Poly[[[2,6-bis-(pyrazol-1-yl-κN)pyridine-κN](nitrato-κO,O')cadmium(II)]-μ-thio-cyanato-κN:S].

ABSTRACT: In the title crystal structure, [Cd(NCS)(NO(3))(C(11)H(9)N(5))](n), the unique Cd(II) ion is coordinated in a distorted penta-gonal-bipyramidal environment. The axial thio-cyanate ligands act in a μ(1,3)-bridging mode to connect symmetry-related Cd(II) ions into one-dimensional chains along [010]. In addition, there are inter-molecular C-H⋯O contacts between chains.

SUBMITTER: Yang ZN

PROVIDER: S-EPMC2959772 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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catena-Poly[[[2,6-bis-(pyrazol-1-yl-κN)pyridine-κN](nitrato-κO,O')cadmium(II)]-μ-thio-cyanato-κN:S].

Yang Zhong Nian ZN Sun Ting Ting TT

Acta crystallographica. Section E, Structure reports online 20081011 Pt 11

In the title crystal structure, [Cd(NCS)(NO(3))(C(11)H(9)N(5))](n), the unique Cd(II) ion is coordinated in a distorted penta-gonal-bipyramidal environment. The axial thio-cyanate ligands act in a μ(1,3)-bridging mode to connect symmetry-related Cd(II) ions into one-dimensional chains along [010]. In addition, there are inter-molecular C-H⋯O contacts between chains. ...[more]

PMID: 21580839

Similar Datasets

Pyridinium [2,6-bis-(5-phenyl-1H-pyrazol-3-yl-κN)pyridine-κN]tetra-nitrato-κO,O';κO-samarium(III) pyridine monosolvate.

Project description:In the title compound, (C(5)H(6)N)[Sm(NO(3))(4)(C(23)H(17)N(5))]·C(5)H(5)N, the Sm(III) atom is ten-coordinated by the N,N',N''-tridentate bis-(pyrazole) ligand and seven O atoms from four nitrate anions (three bidentate and one monodentate). The dihedral angles between the central pyridine ring and adjacent pyrazole rings in the ligand are 1.3 (2) and 3.2 (2)°; the dihedral angles between the pyrazole rings and their pendant phenyl rings are 42.0 (3) and 16.1 (2)°. The conformation of the anionic complex ion is supported by an intra-molecular N-H⋯O hydrogen bond. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds occur. The pyridinium cation forms an N-H⋯N hydrogen bond.

| S-EPMC3152084 | biostudies-literature

catena-Poly[[bis-(pyridine-κN)cadmium]-di-μ(2)-thio-cyanato-κN:S;κS:N].

Project description:The asymmetric unit of the title compound, [Cd(NCS)(2)(C(5)H(5)N)(2)](n), consists of two crystallographically independent Cd(II) cations, four thio-cyanato anions and four pyridine ligands. The Cd(II) atoms are each coordinated by four N atoms from two pyridine ligands and two thio-cyanato anions, each in a mutually cis orientation, and by two S atoms from two adjacent thio-cyanato anions within a slightly distorted octa-hedral coordination environment. The Cd(II) atoms are μ-1,3-bridged via the thio-cyanato anions into polymeric chains parallel to [001]. The Cd(II)⋯Cd(II) intra-chain separations range between 5.9688 (6) and 6.0195 (6) Å, whereas the shortest Cd(II)⋯Cd(II) inter-chain separations are 7.8272 (7) and 8.6312 (6) Å.

| S-EPMC3099960 | biostudies-literature

Bis[2-(1H-pyrazol-3-yl-κN)pyridine-κN]dithio-cyanato-κN,κS-cadmium(II).

Project description:The mol-ecular structure of the mononuclear complex, [Cd(SCN)(2)(C(8)H(7)N(3))(2)], contains a Cd(II) atom in a distorted octa-hedral coordination defined by five N atoms from two bidentate chelate 2-(1H-pyrazol-3-yl)pyridine ligands and by one SCN(-) anion. The second SCN(-) anion provides its S atom for completion of the coordination sphere. The complex is linked to four others by N-H⋯N and N-H⋯S hydrogen-bonding inter-actions between the pyrazol N-H group and the terminal S and N atoms of neighbouring SCN(-) anions. This arrangement leads to the formation of sheets parallel to (100). Face-to-face π-π stacking inter-actions with shortest inter-planar distances of 3.805 (2) and 3.696 (2) Å help to consolidate the crystal packing.

| S-EPMC2983401 | biostudies-literature

Bis-(3-tert-butyl-pyridine-κN)bis-(4-tert-butyl-pyridine-κN)bis(thio-cyanato-κN)cadmium.

Project description:The asymmetric unit of the title compound, [Cd(NCS)(2)(C(9)H(13)N)(4)], consists of one Cd(II) cation located on a centre of inversion, one thio-cyanate anion, one 3-tert-butyl-pyridine ligand and one 4-tert-butyl-pyridine ligand in general positions. The tert-butyl group of the 4-tert-butyl-pyridine ligand is disordered over two sets of sites in a 0.25:0.75 ratio and was refined using a split model. The Cd(II) cation is coordinated by six N atoms of four tert-butyl-pyridine ligands and two N-bonded thio-cyanate anions within a slightly distorted octa-hedral coordination environment.

| S-EPMC3515124 | biostudies-literature

Bis(3-acetyl-pyridine-κN)bis-(methanol-κO)bis-(thio-cyanato-κN)nickel(II).

Project description:In the crystal structure of the title compound, [Ni(NCS)(2)(C(7)H(7)NO)(2)(CH(3)OH)(2)], the Ni(2+) cations are coordinated by two thio-cyanate anions, two 3-acetyl-pyridine ligands and two methanol mol-ecules within slightly distorted NiN(4)O(2) octa-hedra. The asymmetric unit consists of one Ni(2+) cation, which is located on a center of inversion, as well as one thio-cyanate anion, one 3-acetyl-pyridine ligand and one methanol mol-ecule in general positions. The discrete complexes are linked by two pairs of O-H⋯O hydrogen bonds between the hy-droxy H atom and the acetyl O atom into chains along the b axis.

| S-EPMC3343840 | biostudies-literature

μ-Adipato-κO:O-bis-{[2,6-bis-(1H-benzimidazol-2-yl-κN)pyridine-κN](nitrato-κO)lead(II)}.

Project description:The dinuclear title compound, [Pb(2)(C(6)H(8)O(4))(NO(3))(2)(C(19)H(13)N(5))(2)], lies with the mid-point of the butyl chain of the bridging adipate unit on a center of inversion. The Pb(II) ion is covalently bonded to the nitrate anion and is bonded to a carboxyl-ate group of the adipate unit by another covalent bond. The N-heterocycle functions in a chelating tridentate mode. The metal atom exists in a Ψ-octa-hedral coordination environment. When weaker Pb⋯O inter-actions are also considered, the geometry is a Ψ-tricapped trigonal prism in which the lone-pair electrons occupy one face of the trigonal prism. Adjacent mol-ecules are linked into a layer structure by N-H⋯O hydrogen bonds.

| S-EPMC2980214 | biostudies-literature

Tris(thio-cyanato-κN)tris-(triphenyl-phosphine oxide-κO)europium(III)-(nitrato-κ(2) O,O')bis-(thio-cyanato-κN)tris-(triphenyl-phosphine oxide-κO)europium(III) (1/1).

Project description:The title co-crystal, [Eu(NCS)3(C18H15OP)3][Eu(NCS)2(NO3)(C18H15OP)3], contains two distinct neutral complexes. Each complex has threefold symmetry about its central Eu(3+) ion. As a result, the nitrate-containing mol-ecule contains disorder of its bidentate nitrate and two N-bound thio-cyanate anions, while the [Eu(NCS)3(OPPh3)3] complex is fully ordered. There is a weak π-π stacking inter-action between the phenyl rings of the two mol-ecules [centroid-centroid distance = 4.138 (4) Å].

| S-EPMC3588774 | biostudies-literature

Bis(ethanol-κO)bis-(pyridine-3-carb-aldehyde-κN thio-semicarbazone)bis-(thio-cyanato-κN)iron(II)-pyridine-3-carbaldehyde thio-semicarbazone (1/2).

Project description:The crystal structure of the title Fe(II) complex, [Fe(NCS)(2)(C(7)H(8)N(4)S)(2)(CH(3)CH(2)OH)(2)]·2C(7)H(8)N(4)S, based on the Schiff base ligand pyridine-3-carbaldehyde thio-semicarbazone (pct), results from the cocrystallization of an Fe(II) coordination compound together with two of the pct ligands. The complex unit is mononuclear, with the central Fe(II) ion located on a crystallographic centre of inversion and coordinated by four N atoms from two pct ligands and two thio-cyanate anions. The slightly distorted octa-hedral coordination is completed by two O atoms from ethanol mol-ecules. The crystal packing is accomplished inter-molecular N-H⋯S hydrogen bonds.

| S-EPMC2977344 | biostudies-literature

Bis(acetato-κO,O')[2,6-bis-(1H-pyrazol-3-yl-κN)pyridine-κN]manganese(II).

Project description:In the title complex, [Mn(CH(3)CO(2))(2)(C(11)H(9)N(5))], the Mn(II) atom is coordinated by the pyridine N atom and two pyrazole N atoms from a 2,6-bis-(pyrazol-3-yl)pyridine ligand and four O atoms from two bidentate acetate ligands. The complex mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds into a chain along [010]. π-π inter-actions between the pyridine rings and between the pyrazole rings [centroid-centroid distances = 3.772 (2) and 3.546 (2) Å] connect the chains.

| S-EPMC3099944 | biostudies-literature

Diaqua-bis-[4-(1H-imidazol-2-yl)pyridine-κN]bis-(nitrato-κO)cadmium.

Project description:In the title compound, [Cd(NO3)2(C8H7N3)2(H2O)2], the Cd(II) cation is situated on an inversion center and is coordinated by the O atoms of two nitrate anions, by the N atoms of two 4-(imidazol-2-yl)pyridine ligands and by two water O atoms in a slightly distorted N2O4 octa-hedral geometry. The dihedral angle between the imidazole and pyridine rings is 1.6 (2)°. In the crystal, mol-ecules are linked by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3588280 | biostudies-literature

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