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(meso-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-4,11-diene)copper(II) bis-[O,O'-bis-(4-methyl-phen-yl) dithio-phosphate].

ABSTRACT: The title compound, [Cu(C(16)H(32)N(4))](C(14)H(14)O(2)PS(2))(2) or [Cu(trans[14]dien)][S(2)P(OC(6)H(4)Me-4)(2)](2), where trans[14]dien is meso-5,7,7,12,14,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-deca-4,11-diene, was obtained by the reaction of [Cu(trans[14]dien)](ClO(4))(2) and [(C(2)H(5))(2)NH](2) [S(2)P(OC(6)H(4)Me-4)(2)](2). The Cu(II) atom lies on a centre of inversion and possesses a relatively undistorted square-planar coordination arrangement with four N atoms of the macrocyclic tetra-mine trans[14]dien [Cu-N = 1.9716 (19) and 2.0075 (19) Å]. The two uncoordinated [(4-MeC(6)H(4)O)(2)PS(2)](-) groups act as counter-ions to balance the charge and inter-act with the [Cu(trans[14]dien)](2+ )complex cation through N-H⋯S hydrogen bonds.

SUBMITTER: He LX

PROVIDER: S-EPMC2983923 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(meso-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-4,11-diene)nickel(II) bis-[O,O'-bis(4-methyl-phen-yl) dithio-phosphate].

Project description:In the title compound, [Ni(C(16)H(32)N(4))](C(14)H(14)O(2)PS(2))(2) or [Ni(trans[14]dien)][S(2)P(OC(6)H(4)Me-4)(2)](2), where trans[14]dien is meso-5,7,7,12,14,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-deca-4,11-diene, the Ni(II) ion lies across a centre of inversion and is four-coordinated in a relatively undistorted square-planar arrangement by the four N atoms of the macrocyclic ligand trans[14]dien. The two O,O'-di(4-methyl-phen-yl)dithio-phos-phates act as counter-ions to balance the charge. Important geometric data include Ni-N = 1.9135?(16) and 1.9364?(15)?Å.

| S-EPMC2970137 | biostudies-literature

(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-4,11-diene)nickel(II) bis-[O,O'-bis-(4-tert-butyl-phen-yl) dithio-phosphate].

Project description:The title salt, [Ni(C(16)H(32)N(4))](C(20)H(26)O(2)PS(2))(2), comprises a centrosymmetric [Ni(Me(6)[14]dieneN(4))](2+) dication (Me(6)[14]dieneN(4) is 5,7,7,12,14,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-4,11-diene) and two O,O'-bis-(4-tert-butyl-phen-yl) dithio-phosphate anions. The Ni(II) ion lies on an inversion centre and displays a slightly distorted NiN(4) square-planar chelation arrangement with four N atoms from the Me(6)[14]dieneN(4) macrocycle. Two S atoms from symmetry-related anions are located in pseudo-axial positions with respect to the Ni(II) ion, with Ni?S distances of 3.2991?(7)?Å. Inter-molecular N-H?S and C-H?S hydrogen bonds link the complex cation and pair of anions into a 1:2 type salt.

| S-EPMC3050131 | biostudies-literature

(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-4,11-diene-κN,N,N,N)(thio-cyanato-κS)nickel(II) perchlorate monohydrate.

Project description:In the title compound, [Ni(SCN)(C(16)H(32)N(4))]ClO(4)·H(2)O, the Ni(II) ion is coordinated by the four N atoms of the tetra-azacyclo-tetra-deca-4,11-diene macrocyclic ligand and by the S atom of a thio-cyanate anion. The perchlorate anion is rotationally disordered around one Cl-O bond between two orientations; the occupancies refined to 0.61 (4) and 0.39 (4). Inter-molecular O-H⋯N, N-H⋯O and N-H⋯N hydrogen bonds link two cations, two anions and two solvent water mol-ecules into a centrosymmetric cluster. The crystal packing is further stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2969755 | biostudies-literature

(meso-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-4,11-diene)nickel(II) dibromide dihydrate.

Project description:The asymmetric unit of the title compound, [Ni(C(16)H(32)N(4))]Br(2)·2H(2)O, consists of one half [Ni(C(16)H(32)N(4))](2+) cation, one Br(-) anion and one water mol-ecule of crystallization. The Ni(II) ion lies on an inversion centre in a square-planar environment formed by the four macrocyclic ligand N atoms. In the crystal structure, the cations, anions and water mol-ecules are linked via inter-molecular N-H⋯Br and O-H⋯Br hydrogen bonds, forming discrete chains with set-graph motif D(2)D(2) (2)(7)D(2) (1)(3)D(3) (2)(8). The water mol-ecules and Br(-) ions are linked with set-graph motif R(4) (2)(8).

| S-EPMC2983119 | biostudies-literature

trans-(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-4,11-diene-κN,N',N'',N''')bis-(nitrito-κN)cobalt(III) perchlorate hemihydrate.

Project description:The asymmetric unit of the title Co(III) complex, [Co(NO(2))(2)(C(16)H(32)N(4))]ClO(4)·0.5H(2)O, comprises two complex cations, two perchlorate anions and a water mol-ecule of crystallization. The Co(III) atoms exist within distorted octa-hedral N(6) geometries defined by four N atoms of the macrocycle ligand and trans-N atoms derived from the nitrite anions. Systematic variations in the Co-N bond lengths are correlated with the presence of intra-molecular N-H⋯O(nitrite) hydrogen bonds. In the crystal, water-O-H⋯O(perchlorate) hydrogen bonds, involving one of the independent perchlorate anions only, lead to supra-molecular chains along the b-axis direction. The three-dimensional architecture is consolidated by numerous C-H⋯O inter-actions. The crystal studied was a non-merohedral, racemic twin.

| S-EPMC3246992 | biostudies-literature

(meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne)copper(II) bis-(O,S-dibenzyl dithio-phosphate).

Project description:In the crystal structure of the title compound, [Cu(C(16)H(36)N(4))](C(14)H(14)O(2)PS(2))(2), the Cu(II) atom is located on an inversion center and is chelated by four N atoms of the macrocyclic meso-5,5,7,12,12,14- hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane ligand in a square-planar geometry, with Cu-N distances of 2.013 (3) and 2.014 (3) Å. In the crystal structure, one O,S-dibenzyl dithio-phosphate counter-anion links with the Cu(II) complex cation through N-H⋯O and N-H⋯S hydrogen bonding. During the synthesis, the structure of the anion re-arranged from O,O'-dibenzyl dithio-phosphate in the starting material to O,S-dibenzyl dithio-phosphate in the title compound.

| S-EPMC2969959 | biostudies-literature

(meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne)nickel(II) bis-(O,O'-dibenzyl dithio-phosphate).

Project description:In the title salt-type 1:2 adduct, [Ni(C(16)H(36)N(4))](C(14)H(14)O(2)PS(2))(2) or [Ni(tet-a)][S(2)P(OCH(2)Ph)(2)](2), where tet-a is meso-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane, the [Ni(tet-a)](2+) complex cation exhibits a relatively undistorted square-planar geometry about the Ni atom, which lies on an inversion centre and is coordinated by four macrocyclic N atoms. The two O,O'-bis-(2-phenyl-meth-yl) dithio-phosphate anions act as counter-ions to balance the charge and they inter-act with the complex through N-H⋯S hydrogen bonds. Important geometric data include Ni-N distances of 1.958 (3) and 1.963 (3) Å.

| S-EPMC2961295 | biostudies-literature

5,7,7,12,14,14-Hexamethyl-4,8-diaza-1,11-diazo-niocyclotetra-deca-4,11-diene diiodide dihydrate.

Project description:The asymmetric unit of the title compound, C(16)H(34)N(4) (2+)·2I(-)·2H(2)O, contains one half-cation, one iodide anion and one water mol-ecule. The cation has crystallographically imposed centrosymmetric symmetry. Despite some differences in the unit-cell dimensions, packing analysis on a cluster of 15 cations and a comparison of the hydrogen bonding suggests that this compound is isostructural with its bromide analogue. Inter-molecular hydrogen bonding forms eight-membered [H-O-H⋯I](2) and [H-N-H⋯I](2) rings and creates a sheet structure.

| S-EPMC3052064 | biostudies-literature

5,5,7,12,14,14-Hexamethyl-1,8-diaza-4,11-diazo-niacyclo-tetra-deca-4,11-diene dichloride trihydrate.

Project description:In the title compound, C(16)H(34)N(4) (2+)·2Cl(-)·3H(2)O, the two protonated N atoms in the macrocyclic ring of the dication are located at diagonally opposite positions. There are two intramolecular N-H⋯N hydrogen bonds in the cation. The crystal structure features O-H⋯Cl, O-H⋯O, C-H⋯Cl and N-H⋯Cl hydrogen bonds.

| S-EPMC3344587 | biostudies-literature

meso-[5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-1(14),7-diene]nickel(II) dibromide dihydrate.

Project description:The asymmetric unit of the title complex, [Ni(C(16)H(32)N(4))]Br(2)·2H(2)O, contains two [Ni(C(16)H(32)N(4))](2+) cations, four Br(-) anions and four uncoordinated H(2)O mol-ecules. The Ni atoms are in a slightly distorted square-planar coordination by the four macrocyclic N atoms, which are almost coplanar [N-N-N-N torsion angles of 2.97?(6) and 3.12?(7)°]. In the crystal, a network of N-H?Br, O-H?Br and N-H?O hydrogen bonds leads to the formation of a chain structure.

| S-EPMC2979623 | biostudies-other

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