Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Aqua-[N-(1-naphth-yl)acetamido-?N]bis-[2-(2-pyrid-yl)phenyl-?N,C]iridium(III) ethyl-ene glycol hemisolvate.

ABSTRACT: In the title compound, [Ir(C(11)H(8)N)(2)(C(12)H(10)NO)(H(2)O)]·0.5C(2)H(6)O(2), the iridium center is coordinated by two N atoms and two C atoms from two 2-(2-pyrid-yl)phenyl (ppy) ligands, one N atom from the N-(1-naphth-yl)acetamide ligand and one water O atom, forming a distorted octa-hedral environment. Mol-ecules are linked by inter-molecular O-H?O hydrogen bonds formed by the coordinated water mol-ecule and the amide O atom of the N-(1-naphth-yl)acetamide ligands.

SUBMITTER: Fu H

PROVIDER: S-EPMC2961167 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Aqua-[N-(1-naphth-yl)acetamido-κN]bis-[2-(2-pyrid-yl)phenyl-κN,C]iridium(III) ethyl-ene glycol hemisolvate.

Fu Hao H Ding Yuqiang Y Chen Guoqing G

Acta crystallographica. Section E, Structure reports online 20080430 Pt 5

In the title compound, [Ir(C(11)H(8)N)(2)(C(12)H(10)NO)(H(2)O)]·0.5C(2)H(6)O(2), the iridium center is coordinated by two N atoms and two C atoms from two 2-(2-pyrid-yl)phenyl (ppy) ligands, one N atom from the N-(1-naphth-yl)acetamide ligand and one water O atom, forming a distorted octa-hedral environment. Mol-ecules are linked by inter-molecular O-H⋯O hydrogen bonds formed by the coordinated water mol-ecule and the amide O atom of the N-(1-naphth-yl)acetamide ligands. ...[more]

PMID: 21202254

Similar Datasets

Aqua-dipicrato(tetra-ethyl-ene glycol)gadolinium(III) picrate methanol hemisolvate.

Project description:THE ASYMMETRIC UNIT OF THE TITLE COMPOUND [SYSTEMATIC NAME: aqua-bis(2,4,6-trinitro-phenolato)(3,6,9-trioxaundecane-1,11-diol)gadolinium(III) 2,4,6-trinitro-phenolate methanol hemi-solvate], [Gd(C(6)H(2)N(3)O(7))(2)(C(8)H(18)O(5))(H(2)O)](C(6)H(2)N(3)O(7))·0.5CH(4)O, contains two crystallographically independent Gd(III) complex cations with two uncoordinated picrate anions and one methanol mol-ecule. Each Gd(III) atom has nine coordination sites occupied by five O atoms of tetra-ethyl-ene glycol as a penta-dentate ligand, one O atom of a water mol-ecule and three O atoms of the two picrate anions as bidentate and monodentate ligands. The geometry is distorted tricapped trigonal prismatic. The mean planes of the two coordinated mono- and bidentate picrate ligands to the Gd(III) center are almost perpendicular to each other, as indicated by the dihedral angles of 89.92?(8) and 86.60?(8)° in the two complex cations. The ions are arranged in a two-dimensional network parallel to the ac plane. Short O?O and N?O contacts between the nitro groups, intra-molecular C-H?O hydrogen bonds, inter-molecular O-H?O, O-H?N and C-H?O hydrogen bonds, and two ?-? inter-actions between benzene rings [centroid-centroid distances = 3.8073?(10)-3.9831?(10)?Å] are observed. The methanol solvent mol-ecule is disordered over two positions, with site-occupancy factors of ca 0.6 and 0.4.

| S-EPMC2960575 | biostudies-literature

Bis-(?(2)-ethyl-ene)(?(5)-inden-yl)iridium(I).

Project description:The asymmetric unit of the title compound, [Ir(C9H7)(C2H4)2], consists of two independent mol-ecules. The bonding between iridium and the five-membered ring of the indenyl ligand shows the usual asymmetry associated with the typical ring slippage responsible for the enhanced activity of indenyl metal compounds when compared with the analogous cyclo-penta-dienyl metal compound. There are three short Ir-C bonds of 2.210?(3), 2.190?(4) and 2.220?(3)?Å and two long Ir-C bonds to the C atoms that are part of the fused six-membered ring of 2.349?(4) and 2.366?(3)?Å for one of the independent mol-ecules [2.208?(4), 2.222?(3), 2.197?(4)?Å for the short distances and 2.371?(3) and 2.358?(3)?Å for the long distances in the second mol-ecule]. This results in both indenyl ligands being slightly kinked, with dihedral angles of 6.8?(4)° and 6.5?(4)°.

| S-EPMC3790355 | biostudies-literature

(S)-(+)-1-(1-Naphth-yl)-1-(2-thienylmethyl-ene)ethyl-amine.

Project description:The title chiral imine, C(17)H(15)NS, has been obtained via a direct synthesis route. The imine group displays the common E configuration, and is almost coplanar with the thio-phene heterocycle; the dihedral angle between the C=N-C group and the thio-phene ring is 5.1?(8)°. In contrast, the naphthyl group makes an angle of 83.79?(13)° with the thio-phene ring. The observed solid-state mol-ecular conformation is suitable for the use of this mol-ecule as an N,S-bidentate Schiff base ligand. The mol-ecular packing features double C-H?? inter-actions between naphthyl groups of neighboring mol-ecules, which form chains in the [100] direction. The crystal structure is further stabilized by a short C-H?? contact involving the methyl group and one ring of a naphthyl group. The resulting two-dimensional network is completed by a weak inter-molecular C-H(imine)??(thio-phene) inter-action.

| S-EPMC2969493 | biostudies-literature

Tetra-?-benzoato-bis-{[trans-1-(2-pyrid-yl)-2-(4-pyrid-yl)ethyl-ene]zinc(II)}.

Project description:The paddle-wheel-type centrosymmetric dinuclear title complex, [Zn(2)(C(7)H(5)O(2))(4)(C(12)H(10)N(2))(2)], contains four bridging benzoate groups and two terminal trans-1-(2-pyrid-yl)-2-(4-pyrid-yl)ethyl-ene (L) ligands. The inversion center is located between the two Zn(II) atoms. The octa-hedral coordination around the Zn(II) atom, with four O atoms in the equatorial plane, is completed by an N atom of the L mol-ecule [Zn-N = 2.0198?(15)?Å] and by the second Zn(II) atom [Zn?Zn = 2.971?(8)?Å]. The Zn(II) atom is 0.372?Å out of the plane of the four coordinating O atoms.

| S-EPMC2972024 | biostudies-literature

Poly[[?-aqua-aqua-[?(4)-ethyl (dichloro-methyl-ene)diphospho-nato]sesqui-calcium(II)] acetone hemisolvate 4.5-hydrate].

Project description:The title compound, {[Ca(1.5)(C(3)H(5)Cl(2)O(6)P(2))(H(2)O)(2)]·0.5CH(3)COCH(3)·4.5H(2)O}(n), has a two-dimensional polymeric structure. The asymmetric unit contains two crystallographically independent Ca(2+) cations connected by a chelating and bridging ethyl (dichloro-methyl-ene)diphos-pho-n-ate(3(-)) ligand and an aqua ligand. One of the Ca atoms, lying on a centre of symmetry, has a slightly distorted octa-hedral geometry, while the other Ca atom is seven-coordinated in a distorted monocapped trigonal-prismatic geometry. The polymeric layers are further connected by extensive O-H?O hydrogen bonding into a three-dimensional supra-molecular network. The acetone solvent mol-ecule and one uncoordin-ated water mol-ecule are located on twofold rotation axes.

| S-EPMC2968796 | biostudies-literature

Ethyl 6-(6-meth-oxy-2-naphth-yl)-2-oxo-4-(2-thien-yl)cyclo-hex-3-ene-1-carboxyl-ate.

Project description:The title compound, C(24)H(22)O(4)S, was prepared by reaction between (2E)-3-(6-meth-oxy-2-naphth-yl)-1-(2-thien-yl)prop-2-en-1-one and ethyl acetoacetate. In the crystal, the cyclo-hexenone ring shows a distorted half-chair conformation. The length of the double bond in the cyclohexenone ring [1.343?(4)?Å] is normal.

| S-EPMC2969391 | biostudies-literature

Ethyl 4-(2,4-dichloro-phen-yl)-6-(6-meth-oxy-2-naphth-yl)-2-oxocyclo-hex-3-ene-1-carboxyl-ate.

Project description:In the title compound, C(26)H(22)Cl(2)O(4), the cyclo-hexenone ring adopts an approximate half-chair conformation, with two C atoms displaced by -0.485?(6) and 0.218?(6)?Å from the plane of the other four ring atoms. The dihedral angles between its four almost coplanar [maximum deviation = 0.006?(2)?Å] atoms and the benzene and naphthalene ring systems are 59.26?(13) and 79.94?(9)°, respectively. The dihedral angle between the aromatic rings systems is 77.14?(7)°. A short intra-molecular C-H?Cl contact generates an S(6) ring. In the crystal, mol-ecules are linked by C-H?O and C-H?Cl inter-actions to generate a three-dimensional network.

| S-EPMC2983411 | biostudies-literature

Poly[aqua-[?(3)-N'-(carboxy-meth-yl)ethyl-ene-diamine-N,N,N'-triacetato]samarium(III)].

Project description:In the title coordination polymer, [Sm(C(10)H(13)N(2)O(8))(H(2)O)](n), each samarium(III) centre is nine-coordinated by six O and two N atoms from three N'-(carboxy-meth-yl)ethyl-enediamine-N,N,N'-triacetate ligands and one O atom of a water mol-ecule, forming polymeric chains running parallel to the a axis. The packing is governed by inter-molecular O-H?O hydrogen-bonding inter-actions.

| S-EPMC2959472 | biostudies-literature

catena-Poly[[aqua-[3-(3-pyrid-yl)acrylato]gadolinium(III)]-bis-[?-3-(3-pyrid-yl)acrylato]].

Project description:In the title compound, [Gd(C(8)H(6)NO(2))(3)(H(2)O)](n), the gadolinium(III) ion is coordinated by eight carboxyl-ate O atoms and one water mol-ecule. The carboxyl-ate ligands bridge pairs of gadolinium(III) ions, forming a zigzag chain along [100]. Hydrogen bonds link the chains into sheets parallel to (001).

| S-EPMC2961579 | biostudies-literature

Bis[3,5-difluoro-2-(2-pyrid-yl)phen-yl](picolinato)iridium(III).

Project description:The Ir centre in the title complex, [Ir(C(11)H(6)F(2)N)(2)(C(6)H(4)NO(2))], is six-coordinated in a slightly distorted octa-hedral IrC(2)N(3)O fashion.

| S-EPMC2967875 | 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