Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Shi F

PROVIDER: S-EPMC2979623 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Shi Feifei F Chen Xiaodan X Rong Rong R Bao Qianqian Q

Acta crystallographica. Section E, Structure reports online 20100519 Pt 6

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. ...[more]

PMID: 21579309

Similar Datasets

(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

(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

(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

Bromido(meso-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-1,7-diene)copper(II) bromide dihydrate.

Project description:There are two formula units (Z' = 2) in the asymmmetric unit of the title compound, [CuBr(C(16)H(32)N(4))]Br·2H(2)O. The title crystal consists of two [Cu(C(16)H(32)N(4))](2+) cations, two Br(-) anions and four uncoordinated water mol-ecules. The metal atom is five-coordinate square pyramidal, with a long apical Cu-Br bond [2.9734?(11) and 2.9229?(11)?Å in the two cations]. The two cations form a loosely associated dimer through the formation of hydrogen bonds between both N-H and O-H and Br(-). In addition, there is a network of N-H?Br, O-H?Br and N-H?O hydrogen bonds, leading to the formation of a chain structure.

| S-EPMC3089360 | biostudies-literature

(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

(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].

Project description: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.

| S-EPMC2983923 | biostudies-literature

(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-4,11-diene-?N,N,N,N)(thio-cyanato-?S)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-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)copper(II) bis-[O,O'-(o-phenyl-ene)dithio-phosphate].

Project description:In the title compound, [Cu(C(16)H(36)N(4))](C(6)H(4)O(2)PS(2))(2), the Cu(II) cation lies on an inversion center and is chelated by the macrocyclic tetra-amine ligand in a slightly distorted CuN(4) square-planar geometry. The axial positions are occupied by two O,O'-(o-phenyl-ene)dithio-phosphate anions with long Cu?S distances of 3.0940?(7)?Å. Inter-molecular N-H?S and C-H?O hydrogen bonding is present between the anions and the cation and helps to stabilize the crystal structure.

| S-EPMC3011723 | biostudies-literature

(meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) bis-[O,O'-(1,2-phenyl-ene) dithio-phosphate].

Project description:In the crystal structure of the title compound, [Ni(C(16)H(36)N(4))](C(6)H(4)O(2)PS(2))(2), the Ni(II) cation is located on a center of inversion and is chelated by the folded tetra-amine macrocycle ligand in a slightly distorted NiN(4) square-planar geometry. Two symmetry-related O,O'-(1,2-phenyl-ene)dithio-phosphate anions are located on either side of the Ni(II) cation, with Ni?S of 3.9558?(5)?Å, and link to the tetra-amine macrocycle ligand via N-H?S hydrogen bonding.

| S-EPMC3238782 | biostudies-literature

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

Project description:In the title complex, [Ni(C(16)H(36)N(4))(H(2)O)(2)][Ni(CN)(4)], the [Ni(teta)(H(2)O)(2)](2+) cations (teta = 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne) and [Ni(CN)(4)](2-) anions are arranged in an alternating fashion through electrostatic and N-H?N and O-H?N hydrogen-bonding inter-actions, forming a two-dimensional layered structure. Adjacent layers are linked through weak van der Waals inter-actions, resulting in a three-dimensional supra-molecular network.

| S-EPMC2970059 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data