Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tricarbon-yl(2-methyl-2-?-phenyl-1,3-dioxolane)chromium(0).

ABSTRACT: The structure of the title compound, [Cr(C(10)H(12)O(2))(CO)(3)], is presented. The distorted piano-stool geometry features an off-center Cr(CO)(3) fragment which reduces contact with the dioxolane ring. The dioxolane ring, in twisted conformation, is syn-oriented towards the Cr(CO)(3) moiety.

SUBMITTER: Duke CB

PROVIDER: S-EPMC2979860 | biostudies-other | 2010 Jan

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Tricarbon-yl(2-methyl-2-η-phenyl-1,3-dioxolane)chromium(0).

Duke Charles B CB Ross Charles R CR Burkey Theodore J TJ

Acta crystallographica. Section E, Structure reports online 20100113 Pt 2

The structure of the title compound, [Cr(C(10)H(12)O(2))(CO)(3)], is presented. The distorted piano-stool geometry features an off-center Cr(CO)(3) fragment which reduces contact with the dioxolane ring. The dioxolane ring, in twisted conformation, is syn-oriented towards the Cr(CO)(3) moiety. ...[more]

PMID: 21579627

Similar Datasets

Tricarbon-yl(?-flavone)chromium(0).

Project description:In the title compound, [Cr(C(15)H(10)O(2))(CO)(3)], the Cr(CO)(3) unit exhibits a three-legged piano-stool conformation. The chromium metal centre is coordinated by the phenyl ring of the flavone ligand [Cr-(phenyl centroid) distance = 1.709?(1)?Å]. The ligand is approximately planar, the dihedral angles between the ?-pyrone ring and the phenyl ring and between the ?-pyrone and the phenyl-ene ring being 2.91?(5) and 3.90?(5)°, respectively. The mol-ecular packing shows ?-? stacking between the flavone ligands of neighbouring mol-ecules.

| S-EPMC2971426 | biostudies-literature

Crystal structure of 2?-(1,1-di-phenyl-eth-yl)-4-methyl-4?,5?-diphenyl-1,3-dioxolane: the result of a non-acid pinacol rearrangement.

Project description:The title compound, C30H28O2, was obtained during recrystallization of (±)-1,2-diphenyl-1,2-propane-diol in 1-butanol, from an unexpected non-acid-catalyzed pinacol rearrangement followed by acetal formation of the newly formed aldehyde with the diol. The tri-substituted dioxolane ring has a twist conformation on the C-O bond opposite the methyl-substituted C atom. There is an intra-molecular C-H?? inter-action present involving one of the di-phenyl-ethyl rings and an H atom of the phenyl ring in position 4 of the dioxolane ring. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, forming chains along [001]. The chains are linked by a second C-H?? inter-action, forming sheets parallel to the bc plane.

| S-EPMC4645051 | biostudies-literature

(1R,4R,7S)-1,7-Dimethyl-7-(phenyl-sulfonyl-meth-yl)spiro-[bicyclo-[2.2.1]heptane-2,2'-1,3-dioxolane].

Project description:In the title compound, C(18)H(24)O(4)S, the chiral bicyclo-[2.2.1]heptane group is not symmetrical due to the influence of the substituents. The angle between the three-atom bridge plane and the four-atom planes of the boat-shaped six-membered ring are 55.07?(19) and 56.24?(19)°. The bridgehead angle is 92.75?(17)°.

| S-EPMC2915015 | biostudies-literature

(?-s-cis-1,3-Butadiene)tetra-carbonyl-chromium(0).

Project description:In the title complex, [Cr(C(4)H(6))(CO)(4)], the Cr(0) atom shows a distorted octa-hedral environment from four C atoms of the carbonyl ligands and the two ?-bonds of the s-cis-1,3-butadiene ligand. The complex has an approximate non-crystallographic mirror symmetry m passing through the chromium atom, two carbonyl ligands and the mid-point of the central C-C bond of the s-cis-1,3-butadiene ligand. The C-C bond lengths in the s-cis-1,3-butadiene ligand alternate, the terminal distances being shorter than the central distance.

| S-EPMC3052012 | biostudies-literature

(E)-Methyl 2-[(1,3-dioxoisoindolin-2-yl)meth-yl]-3-phenyl-acrylate.

Project description:In the title compound, C(19)H(15)NO(4), the isoindole ring system is essentially planar [maximum deviation = 0.011?(1)?Å] and is oriented at a dihedral angle of 75.7?(1)° with respect to the phenyl ring. The mol-ecular conformation is stabilized by an intra-molecular C-H?O hydrogen bond. The crystal packing is stabilized by C-H?O hydrogen bonds, which generate zigzag chains along the a axis. The crystal packing is further stabilized by a C-H?? inter-action.

| S-EPMC3394013 | biostudies-literature

(4S,5S)-2,2-Dimethyl-4,5-bis-(3-methyl-2-thioxo-2,3-dihydro-1H-imidazol-1-yl-meth-yl)-1,3-dioxolane.

Project description:In the chiral title compound, C(15)H(22)N(4)O(2)S(2), there are two mol-ecules in the asymmetric unit with distinctly different conformations, as quanti-fied by torsion angles. The dihedral angles between the thio-imidazole rings are 81.59?(5) and 67.04?(4)°. One mol-ecule exhibits local twofold rotation symmetry, while the other displays no local symmetry. Inter-molecular C-H?O and C-H?S inter-actions are observed.

| S-EPMC2915016 | biostudies-literature

2,2'-[(4-Methyl-2-phenyl-imidazolidine-1,3-di-yl)bis-(methyl-ene)]diphenol.

Project description:The methyl-substituted imidazolidine ring of the title compound, C24H26N2O2, adopts an envelope conformation with the N atom adjacent to the methyl-ene group as the flap. The meth-yl-ethyl-ene fragment in this ring is disordered over two positions with an occupancy ratio of 0.899?(4):0.101?(4). The hy-droxy-benzyl groups are inclined at 71.57?(15) and 69.97?(19)° to the mean plane of major disorder component of the heterocyclic ring with an inter-planar angle between the two hy-droxy-benzyl groups of 66.00?(5)°. The phenyl substit-uent approaches a nearly perpendicular orientation relative to the mean plane of the imidazolidine ring, making a dihedral angle of 75.60?(12)°. This conformation is stabilized by two intra-molecular O-H?N bonds, which generate S(6) ring motifs.

| S-EPMC3793710 | biostudies-literature

rac-2-[(2-Chloro-phen-yl)(4-chloro-phen-yl)meth-yl]-1,3-dioxolane.

Project description:The title compound, C(16)H(14)Cl(2)O(2), is a chiral mitotane derivative that contains a dioxolane ring and crystallizes from methanol as a racemic mixture. It was obtained in high yield from mitotane and ethyl-eneglycol in alkaline medium, followed by neutralization with sulfuric acid and extraction with ethyl acetate. The mol-ecular structure is stabilized by an intra-molecular C- H? O hydrogen bond. The dihedral angle between the aromatic rings is 80.1?(2)°. The dioxolane ring adopts a puckered envelope conformation with an O atom as the flap.

| S-EPMC3393280 | biostudies-literature

4-Methyl-N-(4-methyl-phenyl-sulfon-yl)-N-[4-(4-methyl-phen-yl)-1,3-thia-zol-2-yl]benzene-sulfonamide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C24H22N2O4S3. In each, the sulfonamide N atoms reveal nearly a trigonal-planar geometry with two S atoms of the O=S=O groups and one C atom of the thia-zole ring; the angles around the N atoms are between 117.00?(13) and 123.86?(9)°. The methyl-phenyl-sulfonyl groups are in anti conformations, forming dihedral angles of 78.00?(7)/72.53?(5) and 77.09?(6)/71.50?(7)° with the trigonal S-N-S planes in the two mol-ecules. The thia-zole groups are rotated around the C-N bonds and are almost perpendicular to the S-N-S plane [dihedral angles of 78.00?(7)/72.53?(5) and 77.09?(6)/71.50?(7)°]. In the crystal, pairs of C-H?O inter-actions, with the O atoms of the sulfonamide groups as acceptors, link each of the independent mol-ecules into inversion dimers.

| S-EPMC3914048 | biostudies-literature

Tetra-carbon-yl[bis-(diphenyl-phosphan-yl)tetra-methyl-disiloxane-?P,P']chromium(0).

Project description:The title compound, [Cr(C(28)H(32)OP(2)Si(2))(CO)(4)], was obtained by the ligand-exchange reaction of Cr(CO)(6) with (Ph(2)PSiMe(2))(2)O in refluxing toluene. The CrC(4)P(2) coordination geometry is distorted octa-hedral, with a P-Cr-P bite angle of 99.22?(4)°.

| S-EPMC3274860 | biostudies-other

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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