Browse
Submit Data
Databases
API
Help

Dataset Information

31 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(1,4,7,10,13,16-Hexaoxa-cyclo-octa-decane-?(6) O)bis-(tetra-hydro-furan-?O)potassium bis-[(1,2,3,4-?)-anthracene]cobalt(-I) tetra-hydro-furan monosolvate.

ABSTRACT: The asymmetric unit of the title compound, [K(C12H24O6)(C4H8O)2][Co(C14H10)2]·C4H8O, consists of one cationic potassium complex, one anionic cobalt dianthracene complex and one tetra-hydro-furan solvent mol-ecule. The potassium cation is situated at the centre of an 18-crown-6 mol-ecule and between two tetra-hydro-furan mol-ecules, the latter coordin-ating above and below the mean plane formed by the O atoms of the crown ether mol-ecule. The Co atom is coordinated by eight C atoms of two anthracene mol-ecules in an ?(4) manner. The third free tetra-hydro-furan mol-ecule shows orientational disorder on two partially occupied positions [occupancy ratio 0.561?(8):0.439?(8)].

SUBMITTER: He H

PROVIDER: S-EPMC3914043 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(1,4,7,10,13,16-Hexaoxa-cyclo-octa-decane-κ(6) O)bis-(tetra-hydro-furan-κO)potassium bis-[(1,2,3,4-η)-anthracene]cobalt(-I) tetra-hydro-furan monosolvate.

He Haiyan H Klein Wilhelm W Fässler Thomas F TF

Acta crystallographica. Section E, Structure reports online 20131207 Pt 1

The asymmetric unit of the title compound, [K(C12H24O6)(C4H8O)2][Co(C14H10)2]·C4H8O, consists of one cationic potassium complex, one anionic cobalt dianthracene complex and one tetra-hydro-furan solvent mol-ecule. The potassium cation is situated at the centre of an 18-crown-6 mol-ecule and between two tetra-hydro-furan mol-ecules, the latter coordin-ating above and below the mean plane formed by the O atoms of the crown ether mol-ecule. The Co atom is coordinated by eight C atoms of two anthrac ...[more]

PMID: 24526959

Similar Datasets

[N,N'-Bis(2,6-diisopropyl-phen-yl)methanimidamidato][?-1,4-bis-(tri-methyl-sil-yl)cyclo-octa-tetra-enyl](tetra-hydro-furan)-samarium(III) toluene monosolvate.

Project description:The title compound, [Sm(C(25)H(35)N(2))(C(14)H(24)Si(2))(C(4)H(8)O)]·C(7)H(8), was prepared by treatment of anhydrous samarium trichloride with a 1:1 mixture of in situ-prepared Li(DippForm) [DippFormH = N,N'-bis-(2,6-diisopropyl-phen-yl)methanimidamide] and Li(2)(COT'') [COT'' = 1,4-bis-(trimethyl-sil-yl)cyclo-octa-tetra-enyl] in tetra-hydro-furan (THF). Despite the presence of two very bulky ligands (COT'' and DippForm), the mol-ecule still contains one coordinated THF ligand. The overall coordination geometry around the Sm(III) atom resembles a three-legged piano-stool with the COT'' ligand being ?(8)-coordinated and the DippForm(-) anion acting as an N,N'-chelating ligand [Sm-N = 2.5555?(15) and 2.4699?(15)?Å]. The asymmetric unit also contains a disordered mol-ecule of toluene, the refined ratio of the two components being 0.80?(4):0.20?(4).

| S-EPMC3011607 | biostudies-literature

rac-1,2,3,4-Tetra-hydro-1,4-methano-anthracene-6,7-dicarbonitrile.

Project description:The title compound, C(17)H(12)N(2), comprises a norbornane unit having a dicyanona-phthalene ring fused on one side. Both cyano groups are twisted slightly out of the plane of the naphthalene ring system [C-C-C-C torsion angle = 1.9 (2)°]. In the crystal, inversion-related mol-ecules are linked by pairs of weak C-H⋯N hydrogen bonds, forming dimers.

| S-EPMC3238964 | biostudies-literature

1,5-Bis(2-oxoindolin-3-yl-idene)thio-carbonohydrazide tetra-hydro-furan monosolvate.

Project description:In the thio-carbonohydrazide mol-ecule of the title compound, C(17)H(12)N(6)O(2)S·C(4)H(8)O, the terminal indolin-2-one ring systems make a dihedral angle of 20.13?(6)° with each other. Two intra-molecular N-H?O hydrogen bonds are present, each of which generates an S(6) ring. In the crystal, N-H?O hydrogen bonds lead to a mol-ecular chain running along the b axis. The tetra-hydro-furan solvent mol-ecule is disordered over two orientations in a 0.561?(11):0.439?(11) ratio.

| S-EPMC3379434 | biostudies-literature

(6RS,9SR)-6,7-Dibromo-1,2,3,4-tetra-hydro-1,4-methano-anthracene.

Project description:The title compound, C(15)H(12)Br(2), comprises a norbornane unit having a dibromo-naphthalene ring fused on one side. Both Br atoms are twisted slightly out of the plane of the naphthalene ring system with a Br-C-C-Br torsion angle of 5.3?(5)°. In the crystal, mol-ecules are linked by weak inter-molecular C-H?Br hydrogen bonds, forming an infinite C(9) chain along [110].

| S-EPMC3089252 | biostudies-literature

Bis(?-2-{bis-[(2-oxidobenzyl-idene)amino]-meth-yl}phenolato)bis-[(tetra-hydro-furan)-samarium(III)] tetra-hydro-furan disolvate.

Project description:In the centrosymmetric binuclear complex of the title solvate, [Sm(2)(C(21)H(15)N(2)O(3))(2)(C(4)H(8)O)(2)]·2C(4)H(8)O, the Sm(III) is coordin-ated in a distorted monocapped octa-hedral geometry by four O atoms and two N atoms from two tridentate deprotonated 2-{bis-[(2-oxidobenzyl-idene)amino]-meth-yl}phenolate ligands and an O atom of a tetra-hydro-furan (THF) mol-ecule. The Sm?Sm distance in the complex is 3.8057?(4)?Å. Parts of the coordinating THF mol-ecule are disordered over two sets of sites in a 0.56?(3):0.44?(3) ratio. The complex and solvent mol-ecules are linked into a three-dimensional structure via C-H?O hydrogen-bonding inter-actions.

| S-EPMC3344343 | biostudies-literature

?-Hexa-thio-metadiphosphato-bis-[(1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane-?(6) O)rubidium] aceto-nitrile disolvate.

Project description:The asymmetric unit of the title compound, [Rb2(P2S6)(C12H24O6)2]·2CH3CN, contains one half of an [Rb(18-crown-6)2]2[P2S6] unit and one aceto-nitrile solvent mol-ecule. The [Rb(18-crown-6)]2[P2S6] unit is completed by inversion symmetry. Its Rb(+) ion is situated near the centre of the macrocyclic cavity, but is displaced by 0.8972?(1)?Å from the O atoms of the crown in the direction of the [P2S6](2-) moiety. The overall coordination number of the cation is eight, defined by the six crown ether O atoms and by two terminal S atoms of the [P2S6](2-) anion. The hexa-thio-metadiphosphate anion is built up from two tetra-hedral PS4 units joined together by a common edge. The crystal structure is characterized by alternating layers of [Rb(18-crown-6)]2[P2S6] and aceto-nitrile solvent mol-ecules stacked along [010].

| S-EPMC4004430 | biostudies-literature

Bis(1,2,3,4-tetra-hydro-quinolin-6-yl)methane.

Project description:The asymmetric unit of the title compound, C(19)H(22)N(2), contains one half-mol-ecule. The 1,2,3,4-tetra-hydro-quinoline units are linked by a methyl-ene bridge, which lies on a twofold rotation axis. The non-aromatic ring adopts a flattened-boat conformation. The dihedral angle between the two symmetry-related benzene rings is 64.03?(7)°.

| S-EPMC2960691 | biostudies-literature

Epalrestat tetra-hydro-furan monosolvate: crystal structure and phase transition.

Project description:The title compound, epalrestat {systematic name: (5Z)-5-[(2E)-2-methyl-3-phenyl-prop-2-en-1-yl-idene]-4-oxo-2-sulfanyl-idene-1,3-thia-zolidine-3-acetic acid}, crystallized as a tetra-hydro-furan monosolvate, C15H13NO3S2·C4H8O. Epalrestat, an important drug for diabetic neuropathy, has been reported to exist in polymphic, solvated and co-crystal forms. In the mol-ecule reported here, the phenyl ring is inclined to the rhodamine ring by 22.31?(9)°, and the acetic acid group is almost normal to the rhodamine ring, making a dihedral angle of 88.66?(11)°. In the crystal, pairs of O-H?O hydrogen bonds are observed between the carb-oxy-lic acid groups of epalerstat mol-ecules, forming inversion dimers with an R22(8) loop. The dimers are linked by pairs of C-H?O hydrogen bonds, forming chains along [101]. The solvate mol-ecules are linked to the chain by a C-H?O(tetra-hydro-furan) hydrogen bond. A combination of thermal analysis and powder X-ray diffraction revealed that title compound desolvated into epalerstat Form II. One C atom of the tetra-hydro-furan solvate mol-ecule is positionally disordered and has a refined occupancy ratio of 0.527?(18):0.473?(18).

| S-EPMC5499264 | biostudies-literature

Tris(tetra-hydro-furan-?O)tris-[tris-(thio-phen-2-yl)methano-lato-?O]terbium(III) tetra-hydro-furan monosolvate.

Project description:In the mononuclear title compound, [Tb(C(13)H(9)OS(3))(3)(C(4)H(8)O)(3)]·C(4)H(8)O, the lanthanide cation is located on a threefold rotation axis and is surrounded by electron-rich ligands in an approximately octa-hedral geometry. One of the thienyl groups and the bound THF are disordered with 0.5:0.5 occupancy. The free THF is disordered around the threefold axis.

| S-EPMC3238632 | biostudies-literature

Crystal structure of 3-(tri-phenyl-phosphoranyl-idene)-2,5-di-hydro-furan-2,5-dione tetra-hydro-furan monosolvate.

Project description:The title pseudo-polymorph of 3-(tri-phenyl-phospho-ranyl-idene)-2,5-di-hydro-furan-2,5-dione crystallizes with a tetra-hydro-furan solvent mol-ecule, viz. C22H17O3P·C4H8O. The succinic anhydride ring is approximately planar (r.m.s. deviation = 0.032?Å). The tetra-hydro-furan mol-ecule is disordered over two orientations about a pseudo-twofold axis with refined occupancy ratio 0.718?(4):0.282?(4). In the crystal, C-H?O hydrogen bonds link mol-ecules of the di-hydro-furan-2,5-dione derivative into chains parallel to the b axis and arranged into layers stacked along [100] alternating with hydrogen-bonded tetra-hydro-furan layers.

| S-EPMC6127696 | 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