Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(18-Crown-6)(trifluoro-methane-sulfonato)-sodium.

ABSTRACT: The title compound, [Na(CF(3)O(3)S)(C(12)H(24)O(6))], features a sodium cation that is coordinated by eight O atoms in an irregular hexa-gonal bipyramidal environment. The equatorial positions are occupied by the six O atoms of an 18-crown-6 ether ring. In the axial positions, there is one O atom of a trifluoro-methane-sulfonate anion and an ether O atom of a symmetry-equivalent crown ether ring. In this way, centrosymmetric dimers are formed.

SUBMITTER: Phan HN

PROVIDER: S-EPMC3007570 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(18-Crown-6)(trifluoro-methane-sulfonato)-sodium.

Phan Hien Ngoc HN Lerner Hans-Wolfram HW Bolte Michael M

Acta crystallographica. Section E, Structure reports online 20100707 Pt 8

The title compound, [Na(CF(3)O(3)S)(C(12)H(24)O(6))], features a sodium cation that is coordinated by eight O atoms in an irregular hexa-gonal bipyramidal environment. The equatorial positions are occupied by the six O atoms of an 18-crown-6 ether ring. In the axial positions, there is one O atom of a trifluoro-methane-sulfonate anion and an ether O atom of a symmetry-equivalent crown ether ring. In this way, centrosymmetric dimers are formed. ...[more]

PMID: 21588137

Similar Datasets

(2,3,7,8,12,13,17,18-Octa-ethyl-por-phin-ato)(trifluoro-methane-sulfonato)iron(III).

Project description:The title compound, [Fe(CF(3)O(3)S)(C(36)H(44)N(4))], is an iron(III) porphyrin complex with the trifluoro-methane-sulfonate anion as an axial ligand. The Fe atom is displaced by 0.219?(2)?Å toward the trifluoro-methane-sulfonate anion from the 24-atom mean plane of the porphyrin, resulting in a distorted FeN(4)O square-based pyramidal geometry. One ethyl-ene group is disordered over two orientations in a 0.502?(6):0.498?(6) ratio.

| S-EPMC2959619 | biostudies-literature

Aqua-(trifluoro-methane-sulfonato)-bis-(1,3,7-trimethyl-purine-2,6-dione)silver(I).

Project description:In the title compound, [Ag(CF(3)SO(3))(C(8)H(10)N(4)O(2))(2)(H(2)O)], the Ag(I) atom is coordinated by two caffeine N atoms and, at longer distances, two O atoms of a coordinated water mol-ecule and the trifluoro-methane-sulfonate anion, resulting in an AgN(2)O(2) seesaw geometry. The caffeine mol-ecules are roughly coplanar [dihedral angle = 5.81?(5)°]. In the crystal, mol-ecules self-assemble into a linear supra-molecular chain along the c axis via O-H?O hydrogen bonds involving the coordinated water moledcule and carbonyl O atoms. The packing is consolidated by weak C-H?O inter-actions.

| S-EPMC2983140 | biostudies-literature

Aqua-bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole-?(2)N(2),N(3)](trifluoro-methane-sulfonato-?O)copper(II) trifluoro-methane-sulfonate.

Project description:2,5-Bis(pyridin-2-yl)-1,3,4-thia-diazole (denoted L) has been found to act as a bidentate ligand in the monomeric title complex, [Cu(CF(3)O(3)S)(C(12)H(8)N(4)S)(2)(H(2)O)](CF(3)O(3)S). The complex shows a distorted octahedrally coordinated copper(II) cation which is linked to two thia-diazole ligands, one water mol-ecule and one trifluoro-methane-sulfonate anion. The second trifluoro-methane-sulfonate anion does not coordinate the copper(II) cation. Each thia-diazole ligand uses one pyridyl and one thia-diazole N atom for the coordination of copper. The N atom of the second non-coordinating pyridyl substituent is found on the same side of the 1,3,4-thia-diazole ring as the S atom. The trifluoro-methane-sulfonate ions are involved in a three-dimensional network of O-H?O hydrogen bonds. C-H?N inter-actions also occur.

| S-EPMC3343784 | biostudies-literature

catena-Poly[[tris-(acetonitrile-?N)praseodymium(III)]tris-(?-trifluoro-methane-sulfonato-?(2) O:O')].

Project description:In the colourless title compound, [Pr(CF3O3S)3(CH3CN)3] n , the three trifluoro-methane-sulfonate anions form three bridges via O:O'-coordination between two Pr(III) atoms. The structure contains [Pr(NCMe)3-?2(OTf)3-Pr(NCMe)3-?2(OTf)3] n (NCMe is acetonitrile; OTf is trifluoromethanesulfonate) chains parallel to the a axis. The Pr(III) atom is nine-coordinate in a distorted tricapped trigonal-prismatic environment.

| S-EPMC3588273 | biostudies-literature

[5,10,15,20-Tetra-kis(4-meth-oxy-phen-yl)porphyrinato-?N,N',N'',N'''](trifluoro-methane-sulfonato-?O)-iron(III).

Project description:The title compound, [Fe(CF(3)O(3)S)(C(48)H(36)N(4)O(4))], is a five-coordinate iron(III) porphyrin complex with a trifluoro-methane-sulfonate anion as an axial ligand. The Fe(III) atom is displaced by 0.40?(1)?Å towards the trifluoro-methane-sulfonate anion from the 24-atom mean plane of the porphyrin. The average Fe-N(p) distance is 2.044?(2)?Å and the Fe-O distance is 2.001?(2)?Å.

| S-EPMC3051595 | biostudies-literature

Bis[(18-crown-6-?O)sodium] (18-crown-6-1?O)-?-thiocyanato-1:2?S:N-pentathio-cyanato-2?N-indate(III)sodium 1,2-dichloro-ethane sesquisolvate.

Project description:The title complex, [Na(C(12)H(24)O(6))](2)[InNa(NCS)(6)(C(12)H(24)O(6))]·1.5C(2)H(4)Cl(2), has been synthesized by the reaction of 18-crown-6 with InCl(3) and NaSCN. The In atom has a six-coordinate octa-hedral environment, being bonded to the N atoms of six thio-cyanate groups. The bond lengths and angles show normal values. The crystal packing exhibits no significantly short inter-molecular contacts.

| S-EPMC2971278 | biostudies-literature

Poly[[{?(4)-1,2-bis-[(3-cyano-benzyl-idene)hydrazono]-1,2-diphenyl-ethane}bis-(trifluoro-methane-sulfonato)disilver(I)] benzene solvate].

Project description:In the title complex, {[Ag(2)(CF(3)O(3)S)(2)(C(30)H(20)N(6))]·C(6)H(6)}(n), the two independent Ag(I) ions are each coordinated by two N atoms and one O atom in a 'T-shaped' geometry. In the crystal structure, 1,2-bis-[(3-cyano-benzyl-idene)hydrazono]-1,2-diphenyl-ethane ligands act as bridging ligands and each coordinates to four Ag(I) ions, resulting in a one-dimensional chain structure. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2961533 | biostudies-literature

catena-Poly[copper(I)-bis(μ-trifluoro-methane-sulfonato-κO:O')-copper(I)-bis(μ-trimethyl trithio-phosphite)-κP:S;κS:P].

Project description:The title compound, [Cu(2)(CF(3)SO(3))(2)(C(3)H(9)PS(3))(2)](n), crystallizes as infinite chains in which two trimethyl trithio-phosphite ligands and two trifluoro-methane-sulfonate anions bridge the essentially tetra-hedrally coordinated Cu(I) ions in an alternating fashion. The P and one S atom of each trimethyl trithio-phosphite ligand are employed for coordination. The mol-ecular structure exhibits the rare motif of copper(I) bridged by two trifluoro-methane-sulfonate anions generating eight-membered rings.

| S-EPMC2967919 | biostudies-literature

Bis[tris-(3,5-dimethyl-1H-pyrazol-1-yl-?N(2))meth-yl]sodium trifluoro-methane-sulfonate.

Project description:In the title salt, [Na(C(16)H(22)N(6))(2)]CF(3)SO(3), the Na(+) cation is coordinated by six N atoms from two tridentate tris-(3,5-dimethyl-pyrazol-1-yl)methane ligands in a distorted octa-hedral geometry. The Na-N distances range from 2.427?(3) to 2.507?(3)?Å, intra-ligand N-Na-N angles range from 74.71?(8) to 79.31?(9)°, and adjacent inter-ligand N-Na-N angles range between 100.42?(9) and 104.97?(9)°. The structure is twinned by inversion [occupancy factors = 0.50?(9)] and the trifluoro-methane-sulfonate anion is disordered, with two end-over-end orientations of unequal occupancy [0.781?(3) and 0.219?(3)].

| S-EPMC3393224 | biostudies-literature

Dibenzo-18-crown-6.

Project description:The asymmetric unit of the title compound, C(20)H(24)O(6), contains two mol-ecules that are identical within standard deviations concerning bond lengths and angles as well as their conformations. In the crystal structure, weak C-H?O inter-actions help to consolidate the packing.

| S-EPMC2959367 | biostudies-other

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