Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(3-Benzoyl-1,7,7-trimethyl-bicyclo-[2.2.1]heptan-2-olato-κO,O)bis-[2-(2-pyrid-yl)phenyl-κC,N]iridium(III).

ABSTRACT: The title compound, [Ir(C(11)H(8)N)(2)(C(17)H(19)O(2))], has an octa-hedral coordination geometry around the Ir(III) atom, retaining the cis-C,C,trans-N,N chelate disposition of the two 2-phenyl-pyridine ligands. The chelate rings are nearly mutually perpendicular [the inter-planar angles range from 85.48 (17) to 89.17 (19)°]. The two 2-(2-pyrid-yl)phenyl ligands are approximately planar, with the plane of the phenyl ring being inclined to that of the pyridine ring by 2.3 (3) and 5.1 (3)° in the two ligands. The inter-planar angle between the phenyl ring in 3-benzoyl-camphor and the IrO(2)C(3) chelate ring is 35.5 (2)°.

SUBMITTER: Luo K

PROVIDER: S-EPMC3246943 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

[(1R,4S)-(+)-3-Benzoyl-1,7,7-trimethyl-bicyclo-[2.2.1]heptan-2-olato-?O,O](?-norbornadiene)rhodium(I).

Project description:In the title complex mol-ecule, [Rh(C(17)H(19)O(2))(C(7)H(8))], the rhodium(I) metal centre is coordinated by the O atoms of a benzoyl-camphorate anion and the C=C bonds of the norbornadiene mol-ecule into a slightly distorted square-planar coordination geometry. The six-membered chelate ring is essentially planar (r.m.s. deviation = 0.0378?Å) and forms a dihedral angle of 31.67?(11)° with the phenyl ring.

| S-EPMC3007428 | biostudies-literature

[(1R)-3-Benzoyl-1,7,7-trimethyl-bicyclo-[2.2.1]heptan-2-onato-?O,O']chlorido(?-p-cymene)ruthenium(II).

Project description:The asymmetric unit of the title compound, [RuCl(C(10)H(14))(C(17)H(19)O(2))], contains two diastereomers. In both, the Ru(II) ion has a tetra-hedral coordination, formed by two O atoms of the camphor-derived ligand and the p-cymene and Cl ligands. In the crystal structure, weak inter-molecular C-H?Cl inter-actions link the mol-ecules into columns propagated along [010].

| S-EPMC2983648 | biostudies-literature

1,7,7-Trimethyl-3-(naphthalen-2-ylcarbon-yl)bi-cyclo-[2.2.1]heptan-2-one.

Project description:The title compound, C21H22O2, crystallizes in its keto form. The mol-ecules are connected via weak C-H⋯O inter-actions, forming infinite chains perpendic-ular to the [001] axis.

| S-EPMC9462172 | biostudies-literature

N-(3-Amino-bicyclo-[2.2.1]heptan-2-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C(14)H(20)N(2)O(2)S, the sulfonamide O atoms lie to one side of the benzene ring and the amino-bicyclo-hepta-nyl to the other side [C(ar)-S-N-C torsion angle = -57.93?(11)°; ar = aromatic]. An intra-molecular N-H?N hydrogen bond is formed. In the crystal, a supra-molecular chain is formed along the b axis via N-H?O and N-H?N hydrogen bonds.

| S-EPMC3393301 | biostudies-literature

The 7-aza-norbornane nucleus of epibatidine: 7-aza-bicyclo-[2.2.1]heptan-7-ium chloride.

Project description:7-Aza-bicyclo-[2.2.1]heptane (7-aza-norbornane) is a bridged heterocyclic nucleus found in epibatidine, the alkaloid isolated from the skin of the tropical poison frog Epipedobates tricolor. Since epibatidine is known as one of the most potent acetyl-choline nicotinic receptor agonists, a plethora of literature has been devoted to this alkaloid. However, there are no structural data on the unsubstituted 7-aza-norbornane, the parent bicyclic ring of epibatidine and its derivatives. We herein present the structural characterization of the 7-aza-bicyclo-[2.2.1]heptane parent ring as its hydro-chloride salt, namely 7-aza-bicyclo-[2.2.1]heptan-7-ium chloride, C6H12N+·Cl-. The compete cation is generated by a crystallographic mirror plane with the N atom lying on the mirror, as does the chloride anion. In the crystal, the cations are linked to the anions by N-H?Cl hydrogen bonds, which generate [001] chains.

| S-EPMC5588587 | biostudies-literature

[(1S,2S,3R,4R)-3-Hydr-oxy-4,7,7-tri-methyl-bicyclo-[2.2.1]heptan-2-yl]methyl[(E)-3-(trimethyl-silyl)prop-2-enyl]selen-onium bromide.

Project description:The title compound, a seleno-nium bromide, C(17)H(33)OSeSi(+)·Br(-), was obtained from the reaction of enanti-omerically pure 4,7,7-trimethyl-2-methyl-selanylbicyclo-[2.2.1]heptan-3-ol and (3-bromopropen-yl)trimethyl-silane in acetone. Due to the chiral bicyclic substituent, the crystal structure is not centrosymmetric and has no symmetry plane, with four chiral C atoms in the cation. The asymmetric unit contains one seleno-nium cation and one bromide anion. C-H⋯Br and O-H⋯Br hydrogen bonds link the ions, forming a one-dimensional R-helical chain-like supra-molecular structure.

| S-EPMC2961745 | biostudies-literature

Synthesis, crystal structure and Hirshfeld analysis of a crystalline compound comprising a 1/1 mixture of 1-[(1R,4S)- and 1-[(1S,4R)-1,7,7-trimethyl-2-oxobi-cyclo[2.2.1]heptan-3-yl-idene]hydrazinecarbo-thio-amide.

Project description:The equimolar reaction between a racemic mixture of (R)- and (S)-camphorquinone with thio-semicarbazide yielded the title compound, C11H17N3OS [common name: (R)- and (S)-camphor thio-semicarbazone], which maintains the chirality of the methyl-ated chiral carbon atoms and crystallizes in the centrosymmetric space group C2/c. There are two mol-ecules in general positions in the asymmetric unit, one of them being the (1R)-camphor thio-semicarbazone isomer and the second the (1S)- isomer. In the crystal, the mol-ecular units are linked by C-H?S, N-H?O and N-H?S inter-actions, building a tape-like structure parallel to the (01) plane, generating R 2 1(7) and R 2 2(8) graph-set motifs for the H?S inter-actions. The Hirshfeld surface analysis indicates that the major contributions for crystal cohesion are from H?H (55.00%), H?S (22.00%), H?N (8.90%) and H?O (8.40%) inter-actions.

| S-EPMC6944080 | biostudies-literature

Bicyclo-[2.2.1]hept-7-yl p-bromo-benzoate.

Project description:The title compound, C(14)H(15)BrO(2), contains a sterically unencumbered norbornyl group. The dihedral angle between the plane of the carboxyl-ate group and the mean plane of the adjacent benzene ring is 5.3?(2)°. The dihedral angle between the plane of the carboxyl-ate group and the norbornyl methano C-O bond is 4.5?(1)°, the methano C atom deviating by 0.141?(2)?Å from this plane. In the crystal, mol-ecules pack as pairs of enanti-omers, with a distance of 3.747?(1)?Å between the centroids of nearest parallel benzene rings.

| S-EPMC3515191 | biostudies-literature

[(2,3,5,6-?)-Bicyclo-[2.2.1]hepta-2,5-diene]dibromidopalladium(II).

Project description:In the title complex, [PdBr(2)(C(7)H(8))], the Pd(II) ion lies in a distorted square-planar environment defined by the two Br atoms and the mid-points of the two ?-coordinated double bonds of bicyclo-[2.2.1]hepta-2,5-diene. The complex is disposed about a crystallographic mirror plane parallel to the ac plane passing through the Pd, Br atoms and the centre of the diene ligand.

| S-EPMC2969277 | biostudies-literature

The galla[1]ferrocenophane {[dimeth-yl(2-pyrid-yl)sil-yl]bis-(trimethyl-silyl)methyl-κC,N}(ferrocene-1,1'-di-yl)gallium(III).

Project description:The title compound, [GaFe(C(5)H(4))(2)(C(14)H(28)NSi(3))] or [{(2-H(4)C(5)N)Me(2)Si}(Me(3)Si)(2)C]Ga(C(5)H(4))(2)Fe, a galla[1]ferrocenophane, crystallizes with two independent mol-ecules in the asymmetric unit. In these strained sandwich compounds, the angles between the planes of the two π-ligands are 15.4 (2) and 16.4 (2)°, with gallium in a distorted tetrahedral coordination environment.

| S-EPMC2960990 | 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