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1,4,8,11-Tetra-kis(carboxy-meth-yl)-5,5,7,12,12,14-hexa-methyl-4,11-diaza-1,8-diazo-niacyclo-tetra-decane dichloride dihydrate.

ABSTRACT: The title compound, C(24)H(46)N(4)O(8) (2+)·2Cl(-)·2H(2)O, was synthes-ized by the hydrolysis of tetra-ethyl 2,2',2'',2'''-(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-1,4,8,11-tetra-yl) tetra-acetate in hydro-chloric acid solution. The crystal structure of the title compound consists of a 14-membered C(10)N(4) centrosymmetric cationic macrocycle which inter-acts with the chloride ions and water mol-ecules of crystallization to give a three-dimensional hydrogen-bonded network.

SUBMITTER: Wang SF

PROVIDER: S-EPMC2961112 | BioStudies | 2008-01-01

REPOSITORIES: biostudies

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Diaqua-(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne)nickel(II) tetra-cyanidonickelate(II).

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(2-Carboxy-benzoato-?O,O)(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-?N)nickel(II) perchlorate monohydrate.

Project description:The title compound, [Ni(C(8)H(5)O(4))(C(16)H(36)N(4))]ClO(4)·H(2)O, has the Ni(II) atom in a distorted octa-hedral geometry, surrounded by coordination by four N atoms of the 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane ligand in a folded configuration, and two carboxyl-ate O atoms of the 2-carboxy-benzoate ligand in cis positions. The complex cation, the disordered perchlorate anion [occupancies 0.639?(8):0.361?(8)] and uncoordinated water mol-ecules engage in N-H?O and O-H?O hydrogen bonding, forming a layer structure parallel to (010).

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(Benzoato-?O,O')(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-?N,N',N'',N''')nickel(II) perchlorate benzoic acid solvate.

Project description:In the title compound, [Ni(C(7)H(5)O(2))(C(16)H(36)N(4))]ClO(4)·C(7)H(6)O(2), the Ni atom displays a distorted octa-hedral coordination geometry with four N atoms of the ligand rac-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane (L) in a folded configuration and two benzoate (bz) O atoms. The [Ni(rac-L)(bz)](+) complex cation, perchlorate anion and benzoic acid mol-ecules engage in hydrogen bonding, with N?O distances between 2.970?(3) and 3.123?(3)?Å and an O?O distance of 2.691?(3)?Å.

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4,11-Diaza-1,8-diazo-niacyclo-tetra-decane dichloride hemihydrate.

Project description:In the title compound, C(10)H(26)N(4) (2+)·2Cl(-)·0.5H(2)O, the cyclam (1,4,8,11-tetra-azacyclo-tetra-decane) dication adopts an endodentate conformation which my be inflenced by intra-molecular N-H?N hydrogen bonding. In the crystal structure, the components are linked by N-H?Cl and O-H?Cl hydrogen bonds into chains along [100]. The water molecule is disordered over two sites in a 50:50 ratio.

2009-01-01 | S-EPMC2970031 | BioStudies

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Project description:In the title compound, [Ni(C(9)H(7)O(2))(C(16)H(36)N(4))]ClO(4)·H(2)O, the macrocyclic 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane ligand (L) folds around the Ni(II) atom, which is also chelated by the carboxyl-ate group. The geometry is a distorted N(4)O(2) octa-hedron. In the crystal, adjacent mol-ecules are connected by O-H?O and N-H?O hydrogen bonds into a zigzag chain parallel to [010].

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catena-Poly[[[(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-?(4)N)nickel(II)]-?-oxido-[dioxidotungstate(VI)]-?-oxido] tetra-hydrate].

Project description:In the title compound, {[NiWO(4)(C(16)H(36)N(4))]·4H(2)O}(n), the Ni(II) ion lies on an inversion center and is octahedrally coordinated by four N atoms of the tetradentate macrocyclic 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane (L) ligand in the equatorial plane and two O atoms of [WO(4)](2-) anions in axial positions. Each [WO(4)](2-) anion bridges two adjacent [NiL](2+) cations, forming a chain along [001]. The chains are further connected via N-H?O, O-H?O and C-H?O hydrogen-bonding inter-actions, generating a three-dimensional structure.

1000-01-01 | S-EPMC3435596 | BioStudies

4,11-Diaza-1,8-diazo-niacyclo-tetra-decane bis-(pyridine-2-carboxyl-ate) dihydrate.

Project description:The asymmetric unit of the title compound, C(10)H(26)N(4) (2+)·2C(6)H(4)NO(2) (-)·2H(2)O, consists of half of a doubly protonated 1,4,8,11-tetra-azacyclo-tetra-decane (cyclam) dication, a pyridine-2-carboxyl-ate anion and a solvent water mol-ecule. The complete dication is generated by a crystallographic centre and adopts an endodentate conformation which may be influenced by intra-molecular N-H?N hydrogen bonding. The carboxyl-ate group of the anion appears to be delocalized on the basis of the C-O bond lengths [1.257?(2) and 1.250?(2)?Å]. In the crystal structure, the components are linked by inter-molecular N-H?O, N-H?N and O-H?O hydrogen bonds.

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Crystal structure of cis-aqua-chlorido-(rac-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-?(4) N)chromium(III) tetra-chlorido-zincate trihydrate from synchrotron data.

Project description:The structure of the title compound, cis-[CrCl(cycb)(H2O)][ZnCl4]·3H2O (cycb is rac-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane; C16H36N4), has been determined from synchrotron data. In the complex cation, the Cr(III) ion is bound by four N atoms from the tetra-dentate cycb ligand, a chloride ion and one water mol-ecule in a cis arrangement, displaying a distorted octa-hedral coordination geometry. The distorted tetra-hedral [ZnCl4](2-) anion and three additional water mol-ecules remain outside the coordination sphere. The Cr-N(cycb) bond lengths are in the range of 2.0837?(14) to 2.1399?(12)?Å while the Cr-Cl and Cr-(OH2) bond lengths are 2.2940?(8) and 2.0082?(13)?Å, respectively. The crystal packing is stabilized by hydrogen-bonding inter-actions between the N-H groups of the macrocyclic ligand, the O-H groups of the water mol-ecules and the Cl atoms of the tetra-chlorido-zincate anion, leading to the formation of a three-dimensional network.

2015-01-01 | S-EPMC4555385 | BioStudies

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