Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dicarbon-yl[2-hydr-oxy-3,5,7-tris-(mor-pho-linomethyl)cyclo-hepta-2,4,6-trien-onato(1-)-?O,O]rhodium(I).

ABSTRACT: In the title compound, [Rh(C(22)H(32)N(3)O(5))(CO)(2)], the Rh(I) atom is coordinated by two carbonyl ligands and two tropolonate O atoms in a distorted square-planar geometry. It is an example of a new type of tropolone derivative that has not been characterized via solid-state methods. Weak intra-molecular C-H?N and inter-molecular C-H?O hydrogen bonds, and ?-? stacking inter-actions between the tropolone rings [centroid-centroid distance = 3.590?(8)?Å] are observed in the crystal structure.

SUBMITTER: Hill TN

PROVIDER: S-EPMC2960118 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Dicarbon-yl[2-hydr-oxy-3,5,7-tris-(mor-pho-linomethyl)cyclo-hepta-2,4,6-trien-onato(1-)-κO,O]rhodium(I).

Hill Tania N TN Steyl G G

Acta crystallographica. Section E, Structure reports online 20081120 Pt 12

In the title compound, [Rh(C(22)H(32)N(3)O(5))(CO)(2)], the Rh(I) atom is coordinated by two carbonyl ligands and two tropolonate O atoms in a distorted square-planar geometry. It is an example of a new type of tropolone derivative that has not been characterized via solid-state methods. Weak intra-molecular C-H⋯N and inter-molecular C-H⋯O hydrogen bonds, and π-π stacking inter-actions between the tropolone rings [centroid-centroid distance = 3.590 (8) Å] are observed in the crystal structure. ...[more]

PMID: 21581182

Similar Datasets

catena-Poly[(μ(3)-2-hy-droxy-4-isopropyl-cyclo-hepta-2,4,6-trien-1-onato)(μ(2)-2-hy-droxy-4-isopropyl-cyclo-hepta-2,4,6-trien-1-onato)lead(II)].

Project description:In the title compound, [Pb(C(10)H(11)O(2))(2)](n) or [Pb(hino)(2)](n), the lead(II) ion is chelated by two hinokitiolate ligands in a distorted square-pyramidal configuration, with Pb-O bond lengths in the range 2.327 (6)-2.479 (9) Å. The 6s(2) lone electron pair of the lead(II) ion becomes stereochemically active and is directed towards the apex of this pyramid. The crystal structure of the title compound consists of chains formed by the bis-(hinokitiolato)lead(II) mol-ecules situated along the twofold screw axis. The coordination sphere around the lead(II) ion is completed by three additional O atoms, at 2.625 (7), 3.016 (8) and 3.064 (8) Å, from the two neighbouring Pb(hino)(2) units. Both isopropyl groups are rotationally disordered.

| S-EPMC3008991 | biostudies-literature

2-Hy-droxy-7-nitro-cyclo-hepta-2,4,6-trien-1-one.

Project description:The title compound, also known as 7-nitro-tropolone, C7H5NO4, exists in the crystalline state as the 2-hy-droxy-7-nitro-cyclo-hepta-2,4,6-trien-1-one tautomer and not as 2-hy-droxy-3-nitro-cyclo-hepta-2,4,6-trien-1-one. The dihedral angle between the ring and the nitro group is 70.3 (2)°. In the crystal, neighbouring mol-ecules are linked into dimers by a pair of O-H⋯O hydrogen bonds. In addition, the crystal is stabilized by O⋯π [3.4039 (14) Å] and O⋯O [3.073 (2) Å] inter-actions.

| S-EPMC3629590 | biostudies-literature

Dicarbon-yl[4-(2,6-dimethyl-phenyl-amino)-pent-3-en-2-onato-?(2)N,O]rhodium(I).

Project description:In the title compound, [Rh(C(13)H(16)NO)(CO)(2)], a square-planar coordination geometry is observed around the Rh(I) atom, formed by the N and O atoms of the bidentate ligand and two C atoms from two carbonyl ligands. The Rh(I) atom is displaced from the plane through these surrounding atoms by 0.0085?(2)?Å. The dihedral angle between the benzene ring and the N-C-C-C-O plane is 89.82?(6)°, and the N-Rh-O bite angle for the bidentate ligand is 90.53?(6)°. An inter-molecular C-H?O inter-action is observed between a methyl group of the benzene ring and a carbonyl O atom.

| S-EPMC3344388 | biostudies-literature

5-Hydr-oxy-1,7-bis-(1H-indol-3-yl)hepta-1,4,6-trien-3-one hemihydrate.

Project description:The title compound, C(23)H(18)N(2)O(2)·0.5H(2)O, a derivative of the biologically active compound curcumin, crystallizes with two organic mol-ecules and a solvent water mol-ecule in the asymmetric unit. Each of the two independent mol-ecules is close to being planar (the dihedral angles between the indole ring systems are approximately 9 and 12°) and each exists in the keto-enol form. There is an intra-molecular O-H?O hydrogen bond between the keto and enol groups. In the crystal, the components interact by way of N-H?N, N-H?O and O-H?O hydrogen bonds.

| S-EPMC2969607 | biostudies-literature

Bis(diphenyl-p-tolyl-phosphane-κP)(2-hy-droxy-3,5,7-bromo-cyclo-hepta-2,4,6-trienonato-κ(2)O,O')copper(I).

Project description:The Cu(I) atom in the title compund, [Cu(C(7)H(2)Br(3)O(2))(C(19)H(17)P)(2)], is located on a twofold rotation axis; the 3,5,7-tribromo-tropolonate anion coordinates as a bidentate ligand with a bite angle of 76.42 (9)°. An intra-molecular C-H⋯O inter-action occurs. Within the crystal, extensive weak C-H⋯π inter-actions contribute to the herringbone pattern observed in the packing of the mol-ecules.

| S-EPMC3515112 | biostudies-literature

1-Ethyl-4-hydr-oxy-9-aza-tricyclo-[7.4.1.0]tetra-deca-2,4,6-trien-8-one.

Project description:In the mol-ecule of the title compound, C(15)H(19)NO(2), the six-membered dihydro-pyridinone ring assumes a screw-boat conformation. In the crystal structure, mol-ecules are linked via O-H?O hydrogen bonding between hydr-oxy and carbonyl groups, forming supra-molecular chains along the a axis.

| S-EPMC2972088 | biostudies-other

Butyl-bis[μ-4-(2,4,6-trimethyl-phenyl-amino)pent-3-en-2-onato][4-(2,4,6-trimethyl-phenyl-amino)pent-3-en-2-onato]dimagnesium.

Project description:The structure of the title compound, [Mg(2)(C(4)H(9))(C(14)H(18)NO)(3)], contains two Mg atoms bridged by two μ(2)-O atoms from two of the three ketiminate ligands, while the third ketiminate is strictly chelating to one of the Mg atoms, which is thereby five-coordinate. In place of a chelating ligand, the second Mg atom is ligated by a single terminal n-butyl group and thus is four-coordinate. This is, so far, the only structurally characterized mixed magnesium ketiminate-alkyl cluster. The geometry at the first Mg atom is close to trigonal-bipyramidal with one chelating and one bridging O atom in the axial positions and two chelating N and one bridging O atom in the equatorial positions. The geometry at the second Mg atom is very distorted from tetra-hedral, with an O-Mg-C angle of 131.0 (1)°.

| S-EPMC2969899 | biostudies-literature

Bis(?-cyclo-hepta-trien-yl)tri-?-hydrido-dimolybdenum(0,I).

Project description:In the title compound, [Mo(2)(?(7)-C(7)H(7))(2)(?-H)(3)], which displays crystallographic mirror symmetry, two (?(7)-C(7)H(7))Mo units are linked along the Mo-Mo axis by three bridging hydride ligands. The Mo-Mo distance is 2.5732?(4)?Å. The perpendicular distances of the Mo atoms from the C(7) planes are 1.5827?(8) and 1.5814?(8)?Å, with individual Mo-C bond lengths in the range 2.261?(2)-2.2789?(14)?Å. Mo-H distances range from 1.77?(3) to 1.85?(4)?Å, with Mo-H-Mo angles of 89?(2) and 92?(1)°.

| S-EPMC2967928 | biostudies-literature

Crystal structure of (18-crown-6)potassium(I) [(1,2,3,4,5-η)-cyclo-hepta-dien-yl][(1,2,3-η)-cyclo-hepta-trien-yl]cobalt(I).

Project description:The reaction of bis-(anthracene)cobaltate(-I) with excess cyclo-hepta-triene, C7H8, resulted in a new 18-electron cobaltate containing two different seven-membered ring ligands, based on single-crystal X-ray diffraction. The asymmetric unit of this structure contains two independent cation-anion pairs of the title complex, [K(18-crown-6)][Co(η(3)-C7H7)(η(5)-C7H9)], where 18-crown-6 stands for 1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane (C12H24O6), in general positions and well separated. Each (18-crown-6)potassium cation is in contact with the η(3)-coordinating ligand of one cobaltate complex. Each η(3)-coordinating ligand behaves as an allylic anion whose exo-diene moiety is bent away from the allylic plane, and thus is not involved directly in the bonding. The metal-coordinating portions of the anionic η(5) ligands are planar and one of these ligands is modeled as disordered over two positions, with occupancy ratio 0.699 (5):0.301 (5), such that one orientation is rotated by one carbon atom with respect to the other. The diffraction intensities were integrated according to non-merohedral twin law [-1 0 0/0 -1 0/0.064 0 1], a 180° rotation about reciprocal lattice axis [001], and the masses of the twin domains refined to equal amounts. As both ligands are formally coordinated as anions, the cobalt atom is best considered to be Co(I). This compound is of inter-est as the first to possess cyclo-hepta-trienyl and cyclo-hepta-dienyl ligands in an anionic metal complex.

| S-EPMC4350718 | biostudies-literature

Crystal structure of tetra-methyl-ammonium 1,1,7,7-tetra-cyano-hepta-2,4,6-trienide.

Project description:The title compound, C4H12N+·C11H5N4 -, contains one tetra-methyl-ammonium cation and one 1,1,7,7-tetra-cyano-hepta-2,4,6-trienide anion in the asymmetric unit. The anion is in an all-trans conjugated C=C bonds conformation. Two terminal C(CN)2 di-nitrile moieties are slightly twisted from the polymethine main chain to which they are attached [C(CN)2/C5 dihedral angles = 6.1?(2) and 7.1?(1)°]. The C-C bond distances along the hepta-dienyl chain vary in the narrow range 1.382?(2)-1.394?(2)?Å, thus indicating the significant degree of conjugation. In the crystal, the anions are linked into zigzag chains along the [10] direction by C-H?N(nitrile) short contacts. The anti-parallel chains stack along the [110] direction with alternating separations between the neighboring anions in stacks of 3.291 and 3.504?Å. The C-H?N short contacts and stacking inter-actions combine to link the anions into layers parallel to the (01) plane and separated by columns of tetra-methyl-ammonium cations.

| S-EPMC6727047 | 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