Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

[N,N,N',N'-Tetra-kis(benzimidazol-2-yl-meth-yl)ethane-1,2-diamine]copper(II) sulfate monohydrate.

ABSTRACT: In the title compound, [Cu(C(34)H(32)N(10))]SO(4)·H(2)O, the Cu(II) ion is coordinated by six N atoms of a hexa-dentate N,N,N',N'-tetra-kis(benzimidazol-2-ylmeth-yl)ethane-1,2-diamine (EDTB) ligand, in a distorted octa-hedral environment. In the crystal structure, inter-molecular N-H?O and weak C-H?O hydrogen bonds connect the cations, anions and water mol-ecules into a three-dimensional network. The O atoms of the anion are disordered over two sites with refined occupancies of 0.711?(2) and 0.289?(2).

SUBMITTER: Xiao ZA

PROVIDER: S-EPMC2971061 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

[N,N,N',N'-Tetra-kis(benzimidazol-2-yl-meth-yl)ethane-1,2-diamine]copper(II) sulfate monohydrate.

Xiao Zuo-An ZA Zhan Dan D

Acta crystallographica. Section E, Structure reports online 20091028 Pt 11

In the title compound, [Cu(C(34)H(32)N(10))]SO(4)·H(2)O, the Cu(II) ion is coordinated by six N atoms of a hexa-dentate N,N,N',N'-tetra-kis(benzimidazol-2-ylmeth-yl)ethane-1,2-diamine (EDTB) ligand, in a distorted octa-hedral environment. In the crystal structure, inter-molecular N-H⋯O and weak C-H⋯O hydrogen bonds connect the cations, anions and water mol-ecules into a three-dimensional network. The O atoms of the anion are disordered over two sites with refined occupancies of 0.711 (2) and 0.2 ...[more]

PMID: 21578188

Similar Datasets

(Nitrato-?O){N,N,N',N'-tetra-kis-[(1H-benzimidazol-2-yl-?N)meth-yl]cyclo-hexane-1,2-diamine}-lead(II) hemiaqua-{N,N,N',N'-tetra-kis-[(1H-benzimidazol-2-yl-?N)meth-yl]cyclo-hexane-1,2-diamine}-lead(II) trinitrate dihydrate.

Project description:In the title compound, [Pb(NO(3))(C(38)H(38)N(10))][Pb(C(38)H(38)N(10))(H(2)O)(0.5)](NO(3))(3)·2H(2)O, both Pb(II) ions are coordinated in a distorted trigonal-prismatic environment by a hexa-dentate N,N,N',N'-tetra-kis-[(1H-benzimidazol-2-yl)meth-yl]cyclo-hex-ane-1,2-diamine ligand. A nitrate and a half-occupancy water ligand form long coordination bonds to the Pb(II) ions capping the trigonal-prismatic environment. In the crystal, the components are linked by N-H?O and O-H?O hydrogen bonds, forming a three-dimensional network. C-H?O inter-actions also occur.

| S-EPMC3238748 | biostudies-literature

[N,N,N',N'-Tetra-kis(benzimidazol-2-yl-meth-yl)cyclo-hexane-1,2-diamine]-nickel(II) dinitrate dihydrate.

Project description:In the title compound, [Ni(C(38)H(38)N(10))](NO(3))(2)·2H(2)O, the Ni(II) ion is located on a crystallographic twofold rotation axis and is in a distorted octa-hedral coordination environment. The crystal structure is stablized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, and weak C-H⋯π inter-actions. The O atoms of the unique nitrate ion are disordered over two sites with occupancies of 0.63 (1) and 0.37 (1). In addition, the O atom of the unique solvent water mol-ecule is disorded over two sites with equal occupancies.

| S-EPMC2959773 | biostudies-literature

(μ-Ethane-1,2-diamine-κN:N')bis-[bis-(ethane-1,2-diamine-κN,N')zinc(II)] tetra-kis-(perchlorate).

Project description:In the title salt, [Zn(2)(C(2)H(8)N(2))(5)](ClO(4))(4), an ethyl-enediamine mol-ecule bridges two bis-(ethyl-enediamine)-zinc units; the five-coordinate Zn atoms show a trigonal-bipyramidal coordination geometry that is distorted towards square-pyramidal (that of one Zn atom is distorted by 12% and that of the other by 34%). The perchlorate ions are all disordered over two positions in a 1:1 ratio. The cation inter-acts weakly with the anion by N-H⋯O hydrogen bonds, generating a three-dimensional network.

| S-EPMC3009181 | biostudies-literature

N,N,N',N'-Tetra-kis(2-hy-droxy-5-methyl-benz-yl)ethane-1,2-diamine dimethyl-formamide disolvate.

Project description:The title compound, C(34)H(40)N(2)O(4)·2C(3)H(7)NO, was synthesized by the Mannich condensation of ethane-diamine, formaldehyde and p-cresol. In the crystal, the tetra-phenol mol-ecule is arranged around an inversion center. The mol-ecule and the dimethyl-formamide solvate are linked through an O-H?O hydrogen bond. An intra-molecular O-H?N hydrogen bond occurs in the tetra-phenol mol-ecule, which may influence the mol-ecular confomation. Futhermore, C-H?O and ?-? stacking inter-actions [centroid-centroid distance = 3.7081?(14)?Å] stabilize the crystal packing, building a three-dimensional network.

| S-EPMC3120359 | biostudies-literature

Perchlorato[N,N,N',N'-tetra-kis(2-pyridyl-meth-yl)cyclo-hexane-1,2-diamine]manganese(II) perchlorate.

Project description:The asymmetric unit of the title compound, [Mn(ClO(4))(C(30)H(34)N(6))]ClO(4), consists of a cationic [Mn(ClO(4))(C(30)H(34)N(6))](+) complex and a perchlorate anion. In the complex, the Mn(2+) ion is seven-coordinated in an approximately penta-gonal-bipyramidal environment by six N atoms from the hexa-dentate N,N,N',N'-tetra-kis(2-pyridylmeth-yl)-cyclo-hexane-1,2-diamine (tpdach) ligand and one O atom from a perchlorate anion. The complex displays inter-molecular ?-? inter-actions between adjacent pyridine rings (centroid-to-centroid distance 4.133?Å). Moreover, there are weak intra- and inter-molecular C-H?O hydrogen bonds. The Cl atom and two O atoms of the perchlorate are disordered, with a site-occupancy factor of 0.59?(2) for the major component.

| S-EPMC2960601 | biostudies-literature

[N,N,N',N'-Tetra-kis(benzimidazol-2-ylmeth-yl)cyclo-hexane-1,2-trans-diamine]-iron(II) bis-(perchlorate) methanol solvate.

Project description:In the title compound, [Fe(C(38)H(38)N(10))](ClO(4))(2)·CH(3)OH, the Fe(II) atom has a distorted octa-hedral coordination environment with four benzimidazol N atoms and two amino N atoms from an N,N,N',N'-tetra-kis-(benzimidazol-2-ylmeth-yl)cyclo-hexane-1,2-trans-diamine ligand. The uncoordinated solvent methanol mol-ecule is hydrogen bonded to an O atom of a perchlorate anion. One of the perchlorate anions is disordered over two sets of sites with occupancy factors of 0.539?(14) and 0.461?(14). N-H?O and C-H?O hydrogen bonds, as well as ?-? stacking inter-actions between the imidazol rings and between the imidazol and benzene rings [centroid-centroid distances = 3.714?(2) and 3.705?(2)?Å] give rise to a three-dimensional network.

| S-EPMC3089232 | biostudies-literature

[μ-N,N'-Bis(2-pyridylmethyl-ene)ethane-1,2-diamine]bis-{aqua-[N,N'-bis-(2-pyridyl-methyl-ene)ethane-1,2-diamine]manganese(II)} tetra-kis(perchlorate).

Project description:The cation of the salt, [Mn(2)(C(14)H(14)N(4))(3)(H(2)O)(2)](ClO(4))(4), lies on a center of inversion, the center lying midway along the ethyl-ene chain of the bridging N,N'-bis-(2-pyridylmethyl-ene)ethane-1,2-diamine ligand. The Mn atom is chelated by two atoms N atoms of this bridging ligand, and is also coordinated by four N atoms of another ligand. The Mn atom is seven-coordinated in a penta-gonal-bipyramidal environment. The crystal structure displays inter-molecular π-π inter-actions between adjacent pyridine rings, with a shortest centroid-centroid distance of 3.784 (3) Å. The perchlorate is linked to the dinuclear cation by O-H⋯O hydrogen bonds.

| S-EPMC2983616 | biostudies-literature

Nitrato[N,N,N',N'-tetra-kis(1H-benzimid-azol-2-ylmeth-yl)ethane-1,2-diamine]-calcium(II) nitrate methanol trisolvate.

Project description:In the title compound, [Ca(NO(3))(C(34)H(32)N(10))]NO(3)·3CH(4)O, the Ca(II) ion is coordinated by six N atoms of the EDTB ligand {EDTB is N,N,N',N'-tetra-kis[(2-benzimidazol-yl)meth-yl]-1,2-ethanediamine} and two O atoms from the nitrate ligand, to form a distorted dodeca-hedral geometry. The crystal packing is stabilized by inter-molecular N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds, which link the constituent units into a three-dimensional network. The uncoordinated nitrate anion is disordered over two sites, with fixed occupancies of 0.77 and 0.23.

| S-EPMC2960083 | biostudies-literature

[N,N-Bis(2-amino-eth-yl)ethane-1,2-diamine](ethane-1,2-diamine)-nickel(II) thio-sulfate trihydrate.

Project description:The title compound, [Ni(C(2)H(8)N(2))(C(6)H(18)N(4))]S(2)O(3)·3H(2)O, was accidentally synthesized under solvothermal conditions applying [Ni(en)(3)]Cl(2) (en is ethane-1,2-diamine) as the Ni source. The asymmetric unit consists of one discrete [Ni(tren)(en)](2+) complex [tren is N,N-bis-(2-amino-eth-yl)ethane-1,2-diamine] in which the Ni(2+) cation is sixfold coord-inated within a slightly distorted octa-hedron, one thio-sulfate anion and three water mol-ecules. In the crystal, the complex cations, anions and water mol-ecules are linked by an intricate hydrogen-bonding network. One C atom of the tren ligand, as well as one O atom of a water mol-ecule, are disordered over two sites and were refined using a split model (occupancy ratios = 0.85:15 and 0.60:0.40, respectively).

| S-EPMC3274897 | biostudies-other

Bis[N-(2-amino-eth-yl)ethane-1,2-diamine-?N,N',N'']copper(II) tris-[diamminetetra-kis-(thio-cyanato-?N)chromate(III)] thio-cyanate dimethyl sulfoxide tetra-deca-solvate monohydrate.

Project description:The ionic title complex, [Cu(C(4)H(13)N(3))(2)](2)[Cr(NCS)(4)(NH(3))(2)](3)(NCS)·14C(2)H(6)OS·H(2)O, consists of complex [Cu(dien)(2)](2+) cations [dien is N-(2-amino-eth-yl)ethane-1,2-diamine], com-plex [Cr(NCS)(4)(NH(3))(2)](-) anions, an NCS(-) counter-anion and uncoordinated dimethyl sulfoxide (DMSO) and water solvent mol-ecules. One of the Cr atoms lies on an inversion center, while the second Cr atom and the Cu atom lie in general positions. The thio-cyanate counter-anion and water mol-ecule are disordered over two positions close to an inversion center. There are several types of hydrogen-bond inter-actions present in the title compound, which connect the complex cations and anions into bulky [Cu(2)Cr(3)] polynuclear species. The four NH(3) groups of the complex anions and six bridging DMSO O atoms link the three complex anions via hydrogen bonding into the anionic polynuclear species [Cr(NCS)(4)(NH(3))(2)](3)·6DMSO. The last one is connected by four bridging DMSO O atoms with the two complex copper cations through N-H? O hydrogen bonds between the terminal NH(3) groups of the anionic polynuclear species and the NH and NH(2) groups of the dien ligand. One additional DMSO mol-ecule is connected via hydrogen bonding to one of the terminal NH(3) groups of the anionic polynuclear species. Another DMSO mol-ecule is connected via hydrogen bonding to each Cu(dien)(2)](2+) cation.

| S-EPMC3212117 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

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