Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis[(1-ammonio-ethane-1,1-di-yl)diphospho-nato-?O,O']diaqua-nickel(II) nona-hydrate.

ABSTRACT: The title compound, [Ni(C(2)H(8)NO(6)P(2))(2)(H(2)O)(2)]·9H(2)O, exhibits a slightly distorted octa-hedral coordination environment around the Ni(II) atom. It contains two mol-ecules of 1-amino--ethyl-idenediphospho-nic acid in the zwitterionic form, coord-inated via O atoms from two phospho-nate groups and creating two six-membered chelate rings. Two water mol-ecules in cis positions complete the coordination environment of the Ni(II) atom. The title compound contains nine partly disordered solvent water mol-ecules, which create a three-dimensional network of strong O-H?O and N-H?O hydrogen bonds.

SUBMITTER: Bon VV

PROVIDER: S-EPMC2979174 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis[(1-ammonio-ethane-1,1-di-yl)diphospho-nato-κO,O']diaqua-nickel(II) nona-hydrate.

Bon Vladimir V VV Dudko Anatolij V AV Kozachkova Alexandra N AN Pekhnyo Vasily I VI Tsaryk Natalia V NV

Acta crystallographica. Section E, Structure reports online 20100430 Pt 5

The title compound, [Ni(C(2)H(8)NO(6)P(2))(2)(H(2)O)(2)]·9H(2)O, exhibits a slightly distorted octa-hedral coordination environment around the Ni(II) atom. It contains two mol-ecules of 1-amino--ethyl-idenediphospho-nic acid in the zwitterionic form, coord-inated via O atoms from two phospho-nate groups and creating two six-membered chelate rings. Two water mol-ecules in cis positions complete the coordination environment of the Ni(II) atom. The title compound contains nine partly disordered sol ...[more]

PMID: 21579065

Similar Datasets

trans-Bis[(1-ammonio-pentane-1,1-di-yl)diphospho-nato-?O,O']diaqua-copper(II).

Project description:In the title compound, [Cu(C(5)H(14)NO(6)P(2))(2)(H(2)O)(2)], the Cu(II) atom occupies a special position on an inversion centre. It exhibits a distorted octa-hedral coordination environment consisting of two O,O'-bidentate (1-ammonio-pentane-1,1-di-yl)diphospho-nate anions in the equatorial plane and two trans water mol-ecules located in axial positions. The ligand mol-ecules are coordinated to the Cu(II) atom in their zwitterionic form via two O atoms from different phospho-nate groups, creating two six-membered chelate rings with a screw-boat conformation. The CuO(6) coordination polyhedron is strongly elongated in the axial direction with 0.6?Å longer bonds than those in the equatorial plane. Intra-molecular N-H?O hydrogen bonding helps to stabilize the mol-ecular configuration. The presence of supra-molecular -PO(OH)?O(OH)P- units parallel to (100) and other O-H?O and N-H?O hydrogen bonds establish the three-dimensional set-up.

| S-EPMC3011560 | biostudies-literature

Bis(1-ammonio-ethane-1,1-diyl-diphos-phonato-?O,O')diaqua-cobalt(II) nona-hydrate.

Project description:In the title compound, [Co(C(2)H(8)NO(6)P(2))(2)(H(2)O)(2)]·9H(2)O, the Co(II) atom has a slightly distorted octa-hedral coordination environment consisting of four deprotonated phospho-nate O atoms of two independent 1-amino-ethyl-idendiphospho-nate anions and complemented by the O atoms of two water mol-ecules in cis positions. The anions exists in the zwitterionic form (protonated amino group and two deprotonated phospho-nate O atoms) and constitute two six-membered chelate rings. The crystal structure also contains nine partly disordered uncoordinated water mol-ecules, which create an extensive three-dimensional network of strong O-H?O and N-H?O hydrogen bonds.

| S-EPMC2979193 | biostudies-literature

Hydroxonium 1-ammonio-ethane-1,1-diyl-diphospho-nate.

Project description:The title complex, H(3)O(+)·NH(3)C(CH(3))(PO(3)H)(2) (-), contains a hydroxonium ion and an NH(3)C(CH(3))(PO(3)H)(2) (-) anion. The three H atoms of H(3)O(+) form a pseudo-tetra-hedron by being distributed over four positions with occupation factors of 0.75. Multiple N-H⋯O and O-H⋯O hydrogen bonds in the crystal structure form an intricate three-dimensional supra-molecular network.

| S-EPMC2968973 | biostudies-literature

catena-Poly[zinc(II)-?(3)-{hydrogen [1-hydr-oxy-2-(3-pyridinio)ethane-1,1-di-yl]diphospho-nato}].

Project description:In the polymeric title compound, [Zn(C(7)H(9)NO(7)P(2))](n), the zinc(II) centre displays a tetra-hedral coordination geometry provided by four O atoms from three different phospho-nate groups. The crystal structure consists of ladder chains parallel to the b axis built up from vertex-sharing of ZnO(4) and PO(3)C tetra-hedra. The chains are linked by strong intra- and inter-chain O-H?O and N-H?O hydrogen bonds, forming a three-dimensional supra-molecular assembly.

| S-EPMC2980138 | biostudies-literature

Ammonium dihydrogen (1-ammonio-pentane-1,1-di-yl)diphospho-nate.

Project description:The title compound, NH(4) (+)·C(5)H(14)NO(6)P(2) (-), was obtained from 1-ammonio-1-phosphono-pentane-1-phospho-nic acid and ammonium hydroxide in aqueous solution. The asymmetric unit of title compound contains one molecule, which consists of an ammonium cation and an aminodiphosphonic anion with the H atoms transferred from the phosphonic acid group to the amino group. The crystal structure shows a three-dimensional network of O-H?O and N-H?O hydrogen bonds which stabilize the structure.

| S-EPMC2977313 | biostudies-literature

Poly[[?-(1-ammonio-ethane-1,1-di-yl)bis-(hydrogenphospho-nato)]diaquachloridodisodium]: a powder X-ray diffraction study.

Project description:The title compound, [Na(2)(C(2)H(8)NO(6)P(2))Cl(H(2)O)(2)](n), has a polymeric two-dimensional structure extending parallel to (001). The asymmetric unit contains two Na(+) cations located on a centre of symmetry and on a mirror plane, respectively, one half of a bis-phospho-nate anion (the entire anion is completed by mirror symmetry), one chloride anion on a mirror plane and one water mol-ecule in general positions. The two Na(+) cations exhibit distorted octa-hedral NaCl(2)O(4) coordination polyhedra, each consisting of two deprotonated O atoms of the bis-phospho-nate anion, of two water mol-ecules and of two chloride anions. Strong O-H?O hydrogen bonds between the -OH group and one of the free O atoms of the bis-phospho-nate anion connect adjacent layers along [100], supported by N-H?Cl inter-actions. Intra-layer O-H?O and N-H?O hydrogen bonds are also observed.

| S-EPMC3344415 | biostudies-literature

Diaqua-bis{[1-hydr-oxy-2-(1H-imidazol-3-ium-1-yl)ethane-1,1-di-yl]bis-(hydrogen phospho-nato)}manganese(II).

Project description:In the title compound, [Mn(C(5)H(9)N(2)O(7)P(2))(2)(H(2)O)(2)], the Mn(II) atom (site symmetry ) is coordinated by four phos-pho-n-ate O atoms from a pair of partially deprotonated 1-hydr-oxy-2-(imidazol-3-yl)ethane-1,1-bis-phophonic acid ligands (imhedpH(3) (-)) and two water mol-ecules, resulting in a slightly distorted trans-MnO(6) octa-hedral geometry for the metal ion. In the ligands, the imidazole units are protonated and two of the hydr-oxy O atoms of the phospho-nate groups are deprotonated and chelate the Mn(II), thus forming the neutral mol-ecule of the title compound. The two protonated O atoms within the phospho-nate groups of one imhedpH(3) (-) ligand act as hydrogen-bond acceptors for a bifurcated hydrogen bond originating from the coordinated water mol-ecule. The phospho-nate units of neigboring mol-ecules are connected with their equivalents in neighboring mol-ecules via two types of inversion-symmetric hydrogen-bonding arrangements with four and two strong O-H?O hydrogen bonds, respectively. The two inter-actions connect mol-ecules into infinite chains along [111] and [110], in combination forming a tightly hydrogen-bonded three-dimensional supra-molecular network. This network is further stabilized by additional hydrogen bonds between the protonated imidazole units and one of the coordinated P-O O atoms and by additional O-H?O hydrogen bonds between the water mol-ecules and the P=O O atoms of neigboring mol-ecules.

| S-EPMC2972148 | biostudies-literature

Dicaesium diaqua-bis-(methyl-ene-diphospho-nato-?O,O')cobaltate(II).

Project description:The asymmetric unit of the title compound, Cs(2)[Co(CH(4)O(6)P(2))(2)(H(2)O)(2)], is comprised of one bidentate methyl-enediphospho-nate ligand and one water mol-ecule which are coordinated to the Co(II) atom, as well as a caesium counter-cation. The Co atom occupies a special position on a crystallographic inversion center. The caesium ion is octa-hedrally coordinated by six O atoms with Cs-O distances ranging from 3.119?(2) to 3.296?(2)?Å. A three-dimensional network is formed through O-H?O hydrogen bonds.

| S-EPMC3201400 | biostudies-literature

Ammonium 1-ammonio-ethane-1,1-diylbis(hydrogenphospho-nate) dihydrate.

Project description:The title compound, NH(4) (+)·C(2)H(8)NO(6)P(2) (-)·2H(2)O, was obtained by the reaction between 1-amino-ethane-1,1-diyldiphospho-nic acid and ammonium hydroxide (1:1) in an aqueous solution. The asymmetric unit contains one anion with two H atoms transferred from the phospho-nic acid groups to the amino group of the anion and to an ammonia mol-ecule, giving an ammonium cation. The structure displays N-H⋯O and O-H⋯O hydrogen bonding, which creates a three-dimensional network.

| S-EPMC2960039 | biostudies-literature

Bis(?-2,2'-bi-1H-imidazole-1,1'-di-acet-ato)bis-[diaqua-cobalt(II)] hexa-hydrate.

Project description:The dinuclear title compound, [Co(2)(C(10)H(8)N(4)O(4))(2)(H(2)O)(4)]·6H(2)O, lies about an inversion centre. Each Co(II) atom is six-coordinated by two water mol-ecules, two carboxyl-ate O atoms and two N atoms of two symmetry-related 2,2'-bi-1H-imidazole-1,1'-diacetate (L(2-)) ligands in a slightly distorted octa-hedral geometry. Mol-ecules are linked into a three-dimensional framework via O-H?O and C-H?O hydrogen bonds.

| S-EPMC2977594 | 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