Browse
Submit Data
Databases
API
Help

Dataset Information

7 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Racemic tricarbonyl[(4a,5,6,7,8,8a-η)-2-phenyl-3,4-dihydro-2H-1-benzopyran]chromium(0).

ABSTRACT: The title compound, [Cr(C(15)H(14)O)(CO)(3)], displays a distorted envelope configuration of the dihydro-pyrane ring. The dihedral angle between the phenyl and phenyl-ene rings is 50.63 (4)°. The Cr(0) atom is coordinated by three CO groups and the phenyl-ene ring of the flavan ligand in an η(6) mode, with a common arene-to-metal distance.

SUBMITTER: van Tonder JH

PROVIDER: S-EPMC3007955 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Racemic tricarbon-yl(?-7-meth-oxy-flavan)chromium(0).

Project description:IN THE TITLE COMPOUND [SYSTEMATIC NAME: tricarbonyl(?(6)-7-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran)chromium(0)], [Cr(C(16)H(16)O(2))(CO)(3)], the Cr(CO)(3) unit is coordinated by the phenyl-ene ring of the flavan ligand, exhibiting a three-legged piano-stool conformation, with a point to plane distance of 1.750?(1)?Å. The phenyl ring is twisted away from the fused ring system by 36.49?(5)° (r.m.s. deviation = 0.027?Å; fitted atoms are the C(6) ring and the attached fused-ring C and O atoms). The dihydro-pyran ring displays a distorted envelope configuration by displacement of the phenyl-bearing and the adjacent ring C atoms from the fused-ring system plane by 0.356?(2) and 0.402?(2)?Å, respectively.

| S-EPMC3007425 | biostudies-literature

(η-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 π-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

2-Hy-droxy-2-trifluoro-methyl-3,4-dihydro-2H-1-benzopyran-4-one.

Project description:The heterocyclic ring in the title compound, C(10)H(7)F(3)O(3), has a half-boat conformation with the hy-droxy-bearing C atom lying 0.595?(3)?Å out of the plane of the five remaining atoms (r.m.s. deviation = 0.022?Å) in the direction of the hy-droxy O atom. Linear supra-molecular chains along the a axis, sustained by O-H?O hydrogen bonds between the hy-droxy H and ketone O atoms, feature in the crystal packing. These chains are connected into a three-dimensional architecture by C-H?O and C-H?F contacts.

| S-EPMC3394075 | biostudies-literature

Racemic tricarbon-yl[7-meth-oxy-2-(?-phen-yl)chromane]-chromium(0).

Project description:In the title compound, [Cr(C(16)H(16)O(2))(CO)(3)], the Cr(0) atom of the Cr(CO)(3) unit is coordinated to the phenyl ring of the flavan ligand in an ?(6) mode, with a normal arene-to-metal distance. The Cr(CO)(3) unit exhibits a three-legged piano-stool conformation, while the dihydro-pyran ring displays a distorted envelope configuration. The phenyl ring is twisted away from the fused ring system by 25.5?(2)°. The meth-oxy group is almost coplanar with the phenyl ring [C(Me)-O-C(ar)-C(ar) torsion angle = 8.46?(2)°]. The crystal packing is stabilized by inter-molecular C-H?O inter-actions.

| S-EPMC3099749 | biostudies-literature

Copper-catalysed asymmetric allylic alkylation of alkylzirconocenes to racemic 3,6-dihydro-2H-pyrans.

Project description:Asymmetric allylic alkylation is a powerful reaction that allows the enantioselective formation of C-C bonds. Here we describe the asymmetric alkylation of alkylzirconium species to racemic 3,6-dihydro-2H-pyrans. Two systems were examined: 3-chloro-3,6-dihydro-2H-pyran using linear optimization (45-93% ee, up to 33% yield, 5 examples) and 3,6-dihydro-2H-pyran-3-yl diethyl phosphate with the assistance of a design of experiments statistical approach (83% ee, 12% yield). (1)H NMR spectroscopy was used to gain insight into the reaction mechanisms.

| S-EPMC4685918 | biostudies-literature

2-Meth-oxy-3-[(3,4,5-trimethoxy-anilino)methyl-idene]-3,4-dihydro-2H-1-benzopyran-4-one.

Project description:The title mol-ecule, C(20)H(21)NO(6), adopts a keto-amine tautomeric form. An intra-molecular N-H?O hydrogen bond, classified as a resonanse-assisted hydrogen bond, influences the mol-ecular conformation; the two benzene rings form a dihedral angle of 24.6?(1)°. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link mol-ecules into chains propagating along [001].

| S-EPMC2980241 | biostudies-literature

6-Hy-droxy-2,5,7,8-tetra-methyl-3,4-dihydro-2H-1-benzopyran-2-carbonitrile, from synchrotron data.

Project description:The crystal structure of the title compound, C(14)H(17)NO(2), solved and refined against synchrotron diffraction data, contains one formula unit in an asymmetric unit. In the crystal, mol-ecules form right-handed helices located at the 2(1) screw axis parallel to the a-axis direction, generated by O-H?N hydrogen bonding between the hy-droxy group and carbonitrile group of an adjacent mol-ecule.

| S-EPMC3212295 | biostudies-literature

(4aR,8aR)-2,3-Diphenyl-4a,5,6,7,8,8a-hexa-hydro-quinoxaline.

Project description:The title mol-ecule, C(20)H(20)N(2), is chiral; the absolute configuration follows from the known chirality of the input reagents. In addition to van der Waals forces, C-H⋯π ring inter-actions are also present. The angle between the planes of the phenyl rings is 65.6 (1)°. The heterocyclic ring of the quinoxaline system has a twist-boat configuration, while the cyclohexane ring has a chair configuration.

| S-EPMC2960268 | biostudies-literature

(4aR*,8aS*)-2,3-Diphenyl-4a,5,6,7,8,8a-hexa-hydro-quinoxaline.

Project description:In the title compound, C(20)H(20)N(2), the quinoxaline ring adopts a very distorted half-chair conformation [N=C-C=N = 22.7 (2)° for the nominally coplanar atoms] and the cyclo-hexane ring adopts a chair conformation. The quinoxaline and cyclo-hexane rings are cis-fused. The two phenyl rings form a dihedral angle of 63.88 (7)°.

| S-EPMC3394007 | biostudies-literature

rac-(4aR,8aR)-2,3-Diphenyl-4a,5,6,7,8,8a-hexa-hydro-quinoxaline.

Project description:The structure of the title racemic compound, C(20)H(20)N(2), shows close similarity to that of the enanti-omerically pure (4aR,8aR)-2,3-diphenyl-4a,5,6,7,8,8a-hexa-hydro-quinoxaline [Wang & Ye (2008 ▶). Acta Cryst. E64, o359-o359]. The similarity applies to the unit-cell parameters as well as to the packing of the constituent mol-ecules. Similar packing is conditioned by a lack of directed inter-molecular inter-actions such as hydrogen bonds in either structure.

| S-EPMC2961730 | 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