Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Veith M

PROVIDER: S-EPMC3238632 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Veith Michael M Belot Celine C Huch Volker V

Acta crystallographica. Section E, Structure reports online 20111109 Pt 12

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. ...[more]

PMID: 22199523

Similar Datasets

Crystal structure of tris-(phenyl-seleno-lato-?Se)tris-(tetra-hydro-furan-?O)thulium(III).

Project description:In the title compound, [Tm(C6H5Se)3(C4H8O)3], the Tm(III) atom lies on a threefold rotation axis and is coordinated by three phenyl-seleno-late ligands and three tetra-hydro-furan ligands leading to a distorted fac-octa-hedral coordination environment. The Tm-Se and Tm-O bond lengths are 2.7692?(17) and 2.345?(10)?Å, respectively, and the bond angles are 91.32?(6)° for Se-Tm-Se, 92.6?(2) and 94.4?(2)° for Se-Tm-O, and 81.2?(3)° for O-Tm-O. In the crystal, the discrete complexes are linked by van der Waals inter-actions only. The crystal was refined as a non-merohedral twin (ratio = 0.65:0.35).

| S-EPMC4257276 | biostudies-literature

Tris(4-formyl-phen-yl)phosphane oxide tetra-hydro-furan hemisolvate.

Project description:The title compound, C21H15O4P·0.5C4H8O, contains an ordered phosphane oxide in a general position and a tetra-hydro-furan solvent mol-ecule disordered about a twofold axis. All three aldehyde substituents are nearly coplanar with their attached benzene rings, with C-C-C-O torsion angles in the range 1.64 (17)-4.24 (19)°. All three have different conformations with respect to the P=O group, one syn, one anti, and one gauche. Two of the aldehyde substituents form inter-molecular C-H⋯O contacts.

| S-EPMC3793837 | 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

1,1,1-Tris(di-methyl-amino)-2-[tris-(di-methyl-amino)-phospho-ranyl-idene]diphosphinium tetra-phenyl-borate tetra-hydro-furan monosolvate.

Project description:In the tetra-hydro-furan solvate of the title salt, C12H36N6P3 (+)·C24H20B(-)·C4H8O, the cation features short P-P bond lengths [2.1111?(11) and 2.1364?(10)?Å] and a distinctly bent P-P-P angle [104.67?(4)°] that confirm that the mol-ecule is not allene-like. In the crystal, the solvent mol-ecule is linked to the cation via a weak C-H?O hydrogen bond.

| S-EPMC4051105 | biostudies-literature

Crystal structure of N'-(2,6-di-methyl-phen-yl)benzene-carboximidamide tetra-hydro-furan monosolvate.

Project description:The asymmetric unit of the title compound, C15H16N2·C4H8O, contains two amidine mol-ecules (A and B) with slightly different conformations and two tetra-hydro-furan (THF) solvent mol-ecules. In the amidine mol-ecules, the di-methyl-phenyl ring and the NH2 group lie to the same side of the N=C bond and the dihedral angles between the aromatic rings are 54.25 (7) (mol-ecule A) and 58.88 (6) ° (mol-ecule B). In the crystal, N-H⋯N hydrogen bonds link the amidine mol-ecules into [100] C(4) chains of alternating A and B mol-ecules. Both amidine mol-ecules form an N-H⋯O hydrogen bond to an adjacent THF solvent mol-ecule.

| S-EPMC4331870 | 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

[Disulfanediylbis(ferrocenyl-thio-phosphinato)-?(2)O,O]titanocene tetra-hydro-furan tris-olvate.

Project description:The title compound, [Fe(2)Ti(C(5)H(5))(4))(C(10)H(8)O(2)P(2)S(4))]·3C(4)H(8)O, contains a central seven-membered TiO(2)P(2)S(2) ring with a very similar geometry compared to the derivative showing anisyl instead of ferrocenyl substituents, the Ti-O distance being marginally longer for the anisyl derivative. Two tetra-hydro-furan solvent mol-ecules are each disordered on a twofold axis.

| S-EPMC3343830 | biostudies-other

Tris(dibenzoyl-methanido-?O,O')[(6R,8R)-(-)-7,7-dimethyl-3-(2-pyrid-yl)-5,6,7,8-tetra-hydro-6,8-methano-isoquinoline-?N,N']terbium(III).

Project description:In the title compound, [Tb(C(15)H(11)O(2))(3)(C(17)H(18)N(2))], the 7,7-dimethyl-3-(2-pyrid-yl)-5,6,7,8-tetra-hydro-6,8-methano-iso-quin-oline (L(RR)) ligand coordinates to Tb(III) through the two N atoms of the heterocycle. The metal centre is also chelated by three deprotonated 1,3-diphenyl-propane-1,3-dione (dbm) ligands, forming enanti-omerically pure [Tb(dbm)(3)L(RR)]. The Tb(III) atom is located in a distorted square anti-prism of eight coordinating atoms (six O and two N atoms).

| S-EPMC2969283 | biostudies-literature

Dimethyl 3,3'-diphenyl-2,2'-[(S)-thio-phene-2,5-diylbis(carbonyl-aza-nedi-yl)]dipropano-ate tetra-hydro-furan monosolvate.

Project description:The title compound, C(26)H(26)N(2)O(6)S·C(4)H(8)O, a solvated bis-amide derivative, is also a chiral amino acid ester with l-phenyl-alanine methyl ester groups as amine substituents. The thio-phene-2,5-dicarboxamide core approximates C(2) point symmetry. The tetra-hydro-furan solvent mol-ecule is linked to the main mol-ecule through an inter-molecular N-H⋯O hydrogen bond. The central ring makes dihedral angles of 90.0 (2) and 76.5 (2)° with the pendant rings.

| S-EPMC2983431 | biostudies-literature

?(2)-Acetone-diacetone[?(3)-tris-(trifluoro-meth-yl)methano-lato]bis-[?(2)-tris-(trifluoro-meth-yl)methano-lato]trilithium.

Project description:The title compound, [Li(3)(C(4)F(9)O)(3)(C(3)H(6)O)(3)], features an open Li/O cube with an Li ion missing at one corner. Three of the four bridging O atoms of the cube carry a fluorinated tert-butyl residue, whereas the fourth is part of an acetone mol-ecule. Two of the Li atoms are further bonded to a non-bridging acetone mol-ecule. Two of the lithium ion coordination geometries are very distorted LiO(4) tetra-hedra; the third could be described as a very distorted LiO(3) T-shape with two distant F-atom neighbours. The Li?Li contact distances for the three-coordinate Li(+) ion [2.608?(14) and 2.631?(12)?Å] are much shorter that the contact distance [2.940?(13)?Å] between the tetra-hedrally coordinated species.

| S-EPMC3011566 | 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