Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tris(2-meth-oxy-ethanaminium) dodeca-molybdophosphate trihydrate.

ABSTRACT: The asymmetric unit of the polyoxidometalate-based organic-inorganic hybrid title compound, (C(3)H(10)NO)(3)[PMo(12)O(40)]·3H(2)O, consists of one ?-Keggin-type [PMo(12)O(40)](3-) polyoxido-anion, three independent [CH(3)-O-CH(2)-CH(2)-NH(3)](+) cations and three solvent water mol-ecules. The polyoxidoanion shows characteristic features with respect to bond lengths and angles. In the crystal structure, extensive inter-molecular N-H?O and O-H?O hydrogen bonding between the organic cations, inorganic anions and solvent water mol-ecules leads to a three-dimensional supra-molecular network.

SUBMITTER: Raissi Shabari A

PROVIDER: S-EPMC3007375 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tris(2-meth-oxy-ethanaminium) dodeca-molybdophosphate trihydrate.

Raissi Shabari Akbar A Kharaghani Sara S Pourayoubi Mehrdad M

Acta crystallographica. Section E, Structure reports online 20100724 Pt 8

The asymmetric unit of the polyoxidometalate-based organic-inorganic hybrid title compound, (C(3)H(10)NO)(3)[PMo(12)O(40)]·3H(2)O, consists of one α-Keggin-type [PMo(12)O(40)](3-) polyoxido-anion, three independent [CH(3)-O-CH(2)-CH(2)-NH(3)](+) cations and three solvent water mol-ecules. The polyoxidoanion shows characteristic features with respect to bond lengths and angles. In the crystal structure, extensive inter-molecular N-H⋯O and O-H⋯O hydrogen bonding between the organic cations, inorga ...[more]

PMID: 21588083

Similar Datasets

4,5,6,10,11,12,16,17,18,22,23,24-Dodeca-kis-[(meth-oxy-carbon-yl)meth-oxy]-2,8,14,20-tetra-pentyl-resorcin[4]arene.

Project description:The title compound, C(84)H(112)O(36), has a macrocyclic structure. It has 12 (meth-oxy-carbon-yl)meth-oxy 'head groups' in the upper rim and exhibits a flattened boat geometry. Intra-molecular C-H⋯O hydrogen bonds occur. In the crystal, inter-molecular C-H⋯O contacts occur. The 'head groups' and the pentyl 'feet' contain disordered (0.5:0.5 occupancy ratio) atoms.

| S-EPMC3238958 | biostudies-literature

Ethanaminium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate methanol monosolvate.

Project description:In the crystal structure of the title compound, C(2)H(8)N(+)·C(9)H(3)Br(4)O(4) (-)·CH(4)O, inter-molecular N-H?O and O-H?O hydrogen bonds link the components into chains along [001]. Additional stabilization is supplied by weak C-H?O and C-H?Br inter-actions.

| S-EPMC3050225 | biostudies-literature

Tris{4-[(2H-tetra-zol-5-yl)meth-yl]morpholinium} dodeca-tungstophosphate hexa-hydrate.

Project description:The title heteropolyoxidotungstate-based inorganic-organic hybrid material, (C(6)H(12)N(5)O)(3)[W(12)(PO(4))O(36)]·6H(2)O, consists of one α-Keggin-type [W(12)(PO(4))O(36)](3-) polyoxidometalate anion (POM), three crystallographically independent 4-[(2H-tetra-zol-5-yl)meth-yl]morpholinium cations and six water mol-ecules of crystallization. The morpholine ring of the cation adopts a chair conformation. The anion shows characteristic features with respect to bond lengths and angles. An extensive network of N-H⋯O, N-H⋯N, O-H⋯O and O-H⋯N hydrogen-bonding inter-actions between the organic cations, inorganic anion and the crystal water mol-ecules lead to a three-dimensional structure. Moreover, six uncoordinated water mol-ecules increase the number of hydrogen bonds in the network and lead to the formation of (H(2)O)(∞) clusters.

| S-EPMC3052096 | biostudies-literature

2-Meth-oxy-ethanaminium periodate 18-crown-6 clathrate.

Project description:In the crystal structure of the title organic salt, C(3)H(10)NO(+)·IO(4) (-)·C(12)H(24)O(6), the protonated 2-meth-oxy-ethanaminium (CH(3)OC(2)H(4)-NH(3) (+)) cation forms a 1:1 supra-molecular rotator-stator complex with the 18-crown-6 mol-ecule via N-H?O hydrogen bonds. The (CH(3)OC(2)H(4)-NH(3) (+)) group is attached from the convex side of the bowl-shaped crown, in contrast to similar ammonium cations that nest in the curvature of the bowl. The cations are associated via N-H?O inter-actions, while the cations and anions are linked by weak C-H?O hydrogen bonds, forming cation-crown-anion chains parallel to [010].

| S-EPMC3051565 | biostudies-other

Penta-kis(l-prolinium) dodeca-tungsto-borate trihydrate.

Project description:The title polyoxometalate-based organic-inorganic hybrid compound, (C(5)H(10)NO(2))(5)[BW(12)O(40)]·3H(2)O, consists of one ?-Keggin-type [BW(12)O(40)](5-) polyoxoanion, five crystallographically independent l-prolinium cations and three uncoordin-ated water mol-ecules. The polyoxoanion shows characteristic features with respect to bond lengths and angles. Several N-H?O and O-H?O hydrogen bonds between the organic cations, inorganic anions and crystal water mol-ecules lead to a three-dimensional supra-molecular structure.

| S-EPMC2972001 | biostudies-literature

2-[(2-Hydr-oxy-2,2-diphenyl-ethyl)(meth-yl)amino]-N,N-dimethyl-ethanaminium bromide.

Project description:The title compound, C(19)H(27)N(2)O(+)·Br(-), is the hydro-bromide of the trapping product of lithia-ted N,N,N',N'-tetramethylethylenediamine (TMEDA) with benzophenone. Thereby, the N atom of the NMe(2) group is selectively protonated and the respective trapping product represents a potential tridentate ligand with one O and two N donor atoms. The H atoms at N (H2N) and O (H1O) are involved in hydrogen bonds with the Br(-). The mol-ecular structure shows all donor atoms to be arranged on one side of the mol-ecule, thus indicating a potential threefold coordination of a Lewis acid.

| S-EPMC2968247 | biostudies-literature

Bis(6-meth-oxy-2-{[tris-(hydroxy-meth-yl)-meth-yl]-imino-meth-yl}phenolato)-copper(II) dihydrate.

Project description:In the title compound, [Cu(C(12)H(16)NO(5))(2)]·2H(2)O, the Cu(II) ion adopts a trans-CuN(2)O(4) octa-hedral geometry arising from two N,O,O'-tridentate 6-meth-oxy-2-{[tris-(hydroxy-meth-yl)meth-yl]-imino-meth-yl}phenolate ligands. The Jahn-Teller distortion of the copper centre is unusally small. In the crystal structure, O-H?O hydrogen bonds, some of which are bifurcated, link the component species.

| S-EPMC2968260 | biostudies-literature

Tris[2-meth-oxy-6-(4-methyl-phenyl-iminio-meth-yl)phenolato-?O,O']tris-(thio-cyanato-?N)neodymium(III).

Project description:In the title compound, [Nd(NCS)(3)(C(15)H(15)NO(2))(3)], the Nd(III) ion is coordinated by three thio-cyanate anions [Nd-N = 2.489?(8)-2.530?(7)?Å] and six O atoms [Nd-O = 2.375?(4)-2.843?(5)?Å] from three zwitterionic 2-meth-oxy-6-(4-methyl-phenyl-iminiometh-yl)phenolate ligands in a tricapped trigonal-prismatic geometry. Intra-molecular N-H?O hydrogen bonds occur. The crystal packing exhibits weak inter-molecular C-H?S hydrogen bonds, ?-? inter-actions with a distance of 3.904?(7)?Å between the centroids of the aromatic rings, and voids of 101?Å(3).

| S-EPMC2980016 | biostudies-literature

1,3,5-Tris(4-meth-oxy-phen-yl)-1,3,5-triazinane-2,4,6-trione.

Project description:The complete mol-ecule of the title compound, C24H21N3O6, is generated by the application of threefold rotation symmetry about an axis perpendicular to the central ring. The mol-ecule exhibits a propeller-like shape. The dihedral angle between each benzene ring and the heterocyclic ring is 74.0 (1)°. The mol-ecules pack with no specific inter-molecular inter-actions between them. The SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155] was used to model disordered solvent mol-ecules, presumed to be acetone; the calculated unit-cell data do not take into account the presence of these.

| S-EPMC3998286 | biostudies-literature

Tris[tris-(1,10-phenanthroline-?N,N')iron(II)] dodeca-tungstoferrate dihydrate.

Project description:The title compound, [Fe(C(12)H(8)N(2))(3)](3)[FeW(12)O(40)]·2H(2)O, was prepared under hydro-thermal conditions. The discrete Keggin-type [FeW(12)O(40)](6-) heteropolyoxoanion has threefold symmetry, with the Fe(II) atom located on the threefold rotation axis. The central FeO(4) tetra-hedron in the anion shares its O atoms with four W(3)O(13) trinuclear units, each of which is made up of three edge-shared WO(6) octa-hedral units. The Fe(II) atom in the complex cation, viz [Fe(phen)(3)](2+) (phen is 1,10-phen-anthroline), shows a slightly distorted octa-hedral geometry defined by six N atoms from three phen ligands. The polyoxoanions pack together with the cations, with the disordered water mol-ecules located in voids; the site occupancy factor for each water O atom is 0.33.

| S-EPMC2961299 | 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