Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(3-Methyl-benzo-nitrile-κN)tetra-kis(μ-N-phenyl-acetamidato)-κ(4) N:O;κ(4) O:N-di-rhodium(II)(Rh-Rh).

ABSTRACT: In the title compound, [Rh2(C8H8NO)4(C8H7N)], the four acetamidate ligands bridging the dirhodium core are arranged in a 2,2-trans manner. One Rh(II) atom is five-coordinate, in a distorted pyramidal geometry, while the other is six-coord-in-ate, with a disorted octa-hedral geometry. For the six-coord-inate Rh(II) atom, the axial nitrile ligand shows a non-linear Rh-nitrile coordination with an Rh-N-C bond angle of 166.4 (4)° and a nitrile N-C bond length of 1.138 (6) Å. Each unique Rh(II) atom is coordinated by a trans pair of N atoms and a trans pair of O atoms from the four acetamide ligands. The Neq-Rh-Rh-Oeq torsion angles on the acetamide bridge varies between 12.55 (11) and 14.04 (8)°. In the crystal, the 3-methyl-benzo-nitrile ring shows a π-π inter-action with an inversion-related equivalent [inter-planar spacing = 3.360 (6) Å]. A phenyl ring on one of the acetamide ligands also has a face-to-face π-π inter-action with an inversion-related equivalent [inter-planar spacing = 3.416 (5) Å].

SUBMITTER: Eagle CT

PROVIDER: S-EPMC3884982 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Tetra-kis[?-N-(2,4,6-trimethyl-phen-yl)acetamidato]-??N:O;??O:N-bis-[(benzo-nitrile-?N)rhodium(II)](Rh-Rh).

Project description:The title structure, [Rh?(C??H??NO)?(C?H?N)?], contains a dinuclear Rh complex of point symmetry -4 with an Rh-Rh unit and two benzonitrile ligands located in special positions along the twofold axis passing through -4. Four symmetry-equivalent mesitylacetamidate ligands bridge the Rh-Rh unit. Thus, each Rh(II) atom has an approximately octa-hedral coordination by one Rh [Rh-Rh = 2.4290?(6)?Å], two acetamidate O atoms trans to each other [Rh-O = 2.044?(3)?Å], two acetamidate N atoms trans to each other [Rh-N = 2.091?(4)?Å], and a benzonitrile N atom trans to Rh [Rh-N = 2.222?(3)?Å]. The structure is held together by weak van der Waals forces.

| S-EPMC3393156 | biostudies-literature

cis-Tetra-kis(?-N-phenyl-acetamidato)-?(4) N:O;?(4) O:N-bis-[(benzo-nitrile-?N)rhodium(II)](Rh-Rh).

Project description:The complex molecule of the title compound, [Rh2{N(C6H5)COCH3}4(C6H5CN)2], exhibits crystallographically imposed centrosymmetry. The four acetamide ligands bridging the dirhodium core are arranged in a 2,2-cis manner, with two N atoms and two O atoms coordinating to the unique Rh(II) atom cis to one another. The Neq-Rh-Rh-Oeq torsion angles on the acetamide bridges vary between 1.62?(4) and 1.78?(4)°. The Rh-Rh bond length is 2.4319?(3)?Å. The axial nitrile ligand completes the distorted octahedral coordination sphere and shows a non-linear coordination with an Rh-N-C bond angle of 167.14?(15)°, while the N-C bond length is 1.135?(3)?Å.

| S-EPMC3684889 | biostudies-other

Crystal structure of tetra-kis-(?-N-phenyl-acetamidato)-?(4) N:O;?(4) O:N-bis-[(2-methyl-benzo-nitrile-?N)rhodium(II)](Rh-Rh).

Project description:The complex molecule of the title compound, [Rh2{N(C6H5)COCH3}4(C8H7N)2], exhibits inversion symmetry. The four acetamidate ligands bridging the dirhodium core are arranged in a 2,2-trans manner with two N atoms and two O atoms coordinating to each Rh(II) atom trans to one another. The Neq-Rh-Rh-Oeq torsion angles on the acetamidate bridge vary between -4.07?(5) and -6.78?(7)°. The axial nitrile ligands complete the distorted octa-hedral coordination sphere of each Rh(II) atom and show a nonlinear coordination with Rh-N-C bond angles of 151.6?(3) and 152.5?(3)°. The bond lengths of the two nitrile triple bonds are 1.133?(5) and 1.137?(5)?Å.

| S-EPMC4186189 | biostudies-literature

(3-Methyl-benzo-nitrile-1?N)-cis-tetra-kis(?-N-phenyl-acetamidato)-1:2?(4) N:O;1:2?(4) O:N-dirhodium(II)(Rh-Rh).

Project description:The complex molecule of the title compound, [Rh2{N(C6H5)COCH3}4(NCC7H7)], has crystallographically-imposed mirror symmetry. The four acetamide ligands bridging the dirhodium core are arranged in a 2,2-cis manner with two N atoms and two O atoms coordinating to the unique Rh(II) atom cis to one another. The Neq-Rh-Rh-Oeq torsion angles on the acetamide bridge are 0.75?(7) and 1.99?(9)°. The axial nitrile ligand completes the distorted octa-hedral coordination sphere of one Rh(II) atom and shows a nonlinear coordination, with an Rh-N-C bond angle of 162.8?(5)°; the N-C bond length is 1.154?(7)?Å.

| S-EPMC4158479 | biostudies-literature

Crystal structure of tetra-kis-(μ-caproato-κ(2) O:O')bis-[(4-cyano-pyridine-κN (1))copper(II)].

Project description:The title dinuclear complex, [Cu2(C6H11O2)4(C6H4N2)2], has a paddle-wheel structure. The two crystallographically independent Cu(II) atoms are each in a distorted square-pyramidal environment, in which four O atoms from the four bridging caproate ligands form the basal plane and the pyridine N atom of the 4-cyano-pyridine ligand occupies the apical position. The Cu⋯Cu distance is 2.6055 (9) Å. One of the alkyl chains of the caproate ligands is disordered over two sets of sites, with occupancies of 0.725 (5) and 0.275 (5). In the crystal, two pairs of C-H⋯N hydrogen bonds connect the mol-ecules into chains along [11-1] and C-H⋯O hydrogen bonds link the chains into a three-dimensional network.

| S-EPMC4645092 | biostudies-literature

Crystal structure of tetra-kis-(μ-2,4,6-tri-methyl-benzoato-κ(2) O:O')bis-[(nicotinamide-κN (1))copper(II)].

Project description:In the title binuclear Cu(II) complex, [Cu2(C10H11O2)4(C6H6N2O)2], the two Cu(II) cations [Cu⋯Cu = 2.5990 (5) Å] are bridged by four 2,4,6-tri-methyl-benzoate (TMB) anions. The four nearest O atoms around each Cu(II) cation form distorted square-planar arrangements and the distorted square-pyramidal coordinations are completed by the pyridine N atoms of nicotinamide mol-ecules at distances of 2.164 (2) and 2.165 (2) Å, respectively. The Cu(II) cations are displaced by -0.2045 (3) and 0.2029 (3) Å from the corresponding planes formed by the nearest four O atoms. In the mol-ecule, the dihedral angles between the planes of the benzene rings and the adjacent carboxyl-ate groups are 80.6 (2), 51.4 (2), 24.4 (2) and 32.5 (2)°, while the planes of the pyridine rings are oriented at a dihedral angle of 11.28 (10)°. In the crystal, bifurcated N-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules, enclosing R 2 (2)(8) and R 4 (4)(8) ring motifs, into a three-dimensional network. The structure contains a solvent-accessible void of 72 Å(3), but there is no solvent mol-ecule located within this void. The crystal studied was an inversion twin refined with a minor component of 0.488 (8).

| S-EPMC4571374 | biostudies-literature

Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetra-kis-[4-(benzo-yloxy)phen-yl]porphyrinato-κ(4) N}zinc.

Project description:The title compound, [Zn(C72H44N4O8)(C4H10N2)] or [Zn(TPBP)(pipz] (where TPBP and pipz are 5,10,15,20-tetra-kis-[4-(benzo-yloxy)phen-yl]porphyrinato and piperazine ligands respectively), features a distorted square-pyramidal coordin-ation geometry about the central Zn(II) atom. This central atom is chelated by the four N atoms of the porphyrinate anion and further coordinated by a nitro-gen atom of the piperazine axial ligand, which adopts a chair confirmation. The average Zn-N(pyrrole) bond length is 2.078 (7) Å and the Zn- N(pipz) bond length is 2.1274 (19) Å. The zinc cation is displaced by 0.4365 (4) Å from the N4C20 mean plane of the porphyrinate anion toward the piperazine axial ligand. This porphyrinate macrocycle exhibits major saddle and moderate ruffling deformations. In the crystal, the supra-molecular structure is made by parallel pairs of layers along (100), with an inter-layer distance of 4.100 Å while the distance between two pairs of layers is 4.047 Å. A region of electron density was treated with the SQUEEZE [Spek (2015 ▸). Acta Cryst. C71, 9-18] procedure in PLATON following unsuccessful attempts to model it as being part of disordered n-hexane solvent and water mol-ecules. The given chemical formula and other crystal data do not take into account these solvent mol-ecules.

| S-EPMC4992910 | biostudies-literature

cyclo-Tetra-kis(μ-3-acetyl-4-methyl-1H-pyrazole-5-carboxyl-ato-κN,O:N,O)tetra-kis[aqua-copper(II)] tetra-deca-hydrate.

Project description:The title compound, [Cu(4)(C(7)H(6)N(2)O(3))(4)(H(2)O)(4)]·14H(2)O, a tetra-nuclear [2 × 2] grid-type complex with S4 symmetry, contains four Cu(II) atoms which are bridged by four pyrazole-carboxyl-ate ligand anions and are additionally bonded to a water molecule. Each Cu(II) atom is coordinated by two O atoms of the carboxyl-ate and acetyl groups, two pyrazole N atoms of doubly deprotonated 3-acetyl-4-methyl-1H-pyrazole-5-carb-oxy-lic acid and one O atom of a water mol-ecule. The geometry at each Cu(II) atom is distorted square-pyramidal, with the two N and two O atoms in the equatorial plane and O atoms in the axial positions. O-H⋯O hydrogen-bonding interactions additionally stabilize the structure. One of the uncoordinated water molecules shows half-occupancy.

| S-EPMC3200935 | biostudies-literature

cyclo-Tetra-μ-malato-κO,O',O'':O'''-tetra-kis[bis-(1H-benzimidazole-κN)cobalt(II)] eicosa-hydrate.

Project description:The title compound, [Co(4)(C(4)H(4)O(5))(4)(C(7)H(6)N(2))(8)]·20H(2)O, consists of tetra-nuclear Co(II) complexes and disordered uncoordinated water mol-ecules. The tetra-meric complex mol-ecule has symmetry. While two benzimidazole mol-ecules and a tridentate malate dianion coordinate a Co(II) ion, the carboxylate O atom from an adjacent malate dianion bridges the Co(II) ions to complete a distorted octa-hedral coordination geometry. The tridentate malate dianion chelates the Co(II) ion, and the chelate six- and five-membered rings show half-chair and envelope configurations, respectively. A face-to-face separation of 3.494 (9) Å between parallel benzimidazole ligands indicates the existence of π-π stacking between adjacent complexes. The crystal structure also involves N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC2960982 | biostudies-literature

Tetra-kis(μ-phenoxy-acetato-κO:O')bis-[(1,10-phenanthroline-κN,N')manganese(II)] methanol hemisolvate.

Project description:The title complex, [Mn(2)(C(8)H(7)O(3))(4)(C(12)H(8)N(2))(2)]·0.5CH(3)OH, is a carboxyl-ate-bridged dinuclear Mn(II) complex with four phenoxy-acetate ions and two 1,10-phenanthroline mol-ecules as ligands. Each of the four phenoxy-acetate anions bridges the pair of Mn atoms. The asymmetric unit is completed by a half-occupancy methanol solvent mol-ecule. Face-to-face π-π stacking inter-actions between the aromatic rings of 1,10-phenanthroline molecules belonging to adjacent Mn(2) complexes, with an inter-planar separation of circa 3.4 Å, and weak C-H⋯O hydrogen bonds connect the dinuclear units into a three-dimensional supra-molecular framework.

| S-EPMC2915099 | biostudies-literature

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