Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Nitrato-?(2) O,O')bis-(1,10-phenanthroline-?(2) N,N')copper(II) tricyano-methanide.

ABSTRACT: The title compound, [Cu(NO3)(C12H8N2)2][C(CN)3], is formed of discrete [Cu(NO3)(phen)2](+) complex cations (phen is 1,10-phenanthroline) and C(CN)3(-) counter-anions. The Cu(II) atom has an asymmetric tetragonal-bipyramidal (4 + 1+1) stereochemistry with a pseudo-C2 symmetry axis bis-ecting the nitrate ligand and passing through the Cu(II) atom between the two phen ligands. The four N atoms of the phen ligands coordinate to the Cu(II) atom with Cu-N distances in the range 1.974?(2)-2.126?(2)?Å, while the two O atoms coordinate at substanti-ally different distances [2.154?(2) and 2.586?(2)?Å]. The structure is stabilized by C-H?O hydrogen bonds and weak ?-? inter-actions between nearly parallel benzene and pyridine rings of two adjacent phen mol-ecules, with centroid-centroid distances of 3.684?(2) and 3.6111?(2)?Å, and between ?-electrons of the tricyano-methanide anion and the pyridine or benzene rings [N?(ring centroid) distances = 3.553?(3)-3.875?(3)?Å].

SUBMITTER: Lackova K

PROVIDER: S-EPMC3588793 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Diaqua-bis-(perchlorato)(1,10-phenanthroline)copper(II).

Project description:In the title compound, [Cu(ClO(4))(2)(C(12)H(8)N(2))(H(2)O)(2)], the Cu(II) atom is coordinated in a square-planar fashion by the two N atoms of a chelating 1,10-phenanthroline ligand and by two water mol-ecules trans to the N atoms. The coordination sphere of the metal atom is augmented by O atoms of two weakly bonded perchlorate anions, thus yielding a strongly distorted CuN(2)O(4) octa-hedral environment. The crystal packing is stabilized by O-H⋯O hydrogen bonds between the water mol-ecules and the perchlorate anions. In addition, the organic mol-ecules are associated by π-π stacking inter-actions between symmetry-equivalent anti-parallel non-nitro-gen aromatic rings, with inter-planar distances of 3.543 (2) Å.

| S-EPMC3008125 | biostudies-literature

Tris(5,6-dimethyl-1,10-phenanthroline-?(2) N,N')iron(II) bis-(tricyano-methanide).

Project description:The title compound, [Fe(C14H12N2)3](C4N3)2, consists of one [Fe(dimephen)3](2+) complex cation (dimephen = 5,6-dimethyl-1,10-phenanthroline) and two uncoordinating tcm anions (tcm = tricyano-methanide). In the complex cation, the Fe(II) atom is coordinated by six N atoms from three chelating dimephen ligands at an average Fe-N distance of 1.963?(4)?Å giving a distorted octa-hedral geometry. The crystal structure is stabilized by weak C-H?N hydrogen bonds and C N?? inter-actions between planar [maximum deviations of 0.024?(3) and 0.015?(3)?Å] tcm anions and pyridine rings of dimephen [N2?centroid = 3.531?(3) and 3.726?(3)?Å; C N?centroid = 96.4?(2) and 97.1?(2)°].

| S-EPMC3588769 | biostudies-literature

trans-Bis(nitrato-?O)bis-(1,10-phenanthroline-?(2)N,N')manganese(II).

Project description:In the title compound, [Mn(NO(3))(2)(C(12)H(8)N(2))(2)], the Mn(II) atom lies on a twofold rotation axis, and is six-coordinated in a distorted trans-N(4)O(2) octa-hedral environment by four N atoms from two 1,10-phenanthroline ligands and two O atoms from two nitrate anions. The nitrate anion is disordered about a twofold rotation axis with fixed occupancy factors of 0.5. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 4.088?(5)?Å] into a three-dimensional supra-molecular network.

| S-EPMC3414101 | biostudies-literature

Nitrato(1,10-phenanthroline)(1H-1,2,4-triazole-3-carboxyl-ato)copper(II).

Project description:In the title complex, [Cu(C(3)H(2)N(3)O(2))(NO(3))(C(12)H(8)N(2))], the Cu(II) ion is coordinated by an N and an O atom from a bidentate 1H-1,2,4-triazole-3-carboxyl-ate (TRIA) ligand, two N atoms from a 1,10-phenanthroline (phen) ligand, and an O atom from a nitrate ligand in a slightly distorted square-pyramidal environment. In the crystal structure, inter-molecular N-H?O hydrogen bonds link mol-ecules into one-dimensional chains propagating along the b axis direction.

| S-EPMC2960337 | biostudies-literature

Bis(2,9-dimethyl-1,10-phenanthroline-κN,N')bis-(nitrato-κO,O')lead(II).

Project description:In the title complex, [Pb(NO(3))(2)(C(14)H(12)N(2))(2)], the lead ion is chelated by two 2,9-dimethyl-1,10-phenanthroline (dmphen) ligands and two nitrate anions in a slightly distorted square-anti-prismatic geometry. Intra- and inter-molecular π-π stacking is present in the crystal structure, and the centroid-centroid distances between the benzene and pyridine rings of adjacent dmphen ligands are 3.492 (3) and 3.592 (3) Å, respectively. Inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions help to stabilize the crystal structure.

| S-EPMC3006962 | biostudies-literature

Chloridobis(1,10-phenanthroline-?N,N')copper(II) tetra-kis-(nitrato-?O,O')(1,10-phenanthroline-?N,N')terbate(III).

Project description:The title complex salt, [CuCl(C(12)H(8)N(2))(2)][Tb(NO(3))(4)(C(12)H(8)N(2))], consists of discrete [CuCl(phen))(2)](+) cations and [Tb(NO(3))(4)(phen)](-) anions (phen is 1,10-phenanthroline). The [CuCl(phen))(2)](+) cation contains a five-coordinate Cu(2+) ion, ligated by two bidentate phen ligands and one Cl(-) ion, exhibiting a distorted CuN(4)Cl trigonal-bipyramidal geometry. In the [Tb(NO(3))(4)(phen)](-) anion, the Tb(3+) ion is coordinated by one chelating phen ligand and four chelating nitrates, forming a distorted TbN(2)O(8) bicapped dodeca-hedral configuration. The anions and cations are assembled into a three-dimensional network by weak C-H?Cl and C-H?O hydrogen bonds. There is also a significant ?-? stacking inter-action, with a centroid-centroid distance of 3.635?(2)?Å.

| S-EPMC3120589 | biostudies-literature

trans-Bis(4,7-diphenyl-1,10-phenanthroline-?N,N')bis-(nitrato-?O,O')zinc(II).

Project description:The title compound, [Zn(NO(3))(2)(C(24)H(16)N(2))(2)], is a twofold axially symmetric coordination compound. Given that the Zn-O interactions [2.4926?(15) and 2.6673?(15)?Å] can be considered as weakly bonding and the nitrate ions share the same C(2) axis of the Zn(dpp)(2) fragment (dpp is 4,7-diphenyl-1,10-phenanthroline), these anions belong to the coordination sphere of Zn(2+), leading to a complex with an overall coordination number of 8 for the metal ion.

| S-EPMC3011604 | biostudies-literature

Acetonitrile-bis-(2-methyl-1,10-phenanthroline)copper(II) tetra-fluoridoborate.

Project description:In the title compound, [Cu(CH(3)CN)(C(13)H(10)N(2))(2)](BF(4))(2), the fivefold-coordinate Cu(II) atom is located on a twofold rotation axis, imposing twofold symmetry to the complete cation. The structure exhibits disorder of the anion, which was successfully refined using a two-site model with 0.810?(3):0.190?(3) occupancy. The methyl group of the acetonitrile ligand is likewise disordered, here about the twofold rotation axis in a 1:1 ratio.

| S-EPMC3009216 | biostudies-literature

Bis(μ-4-chloro-2-oxidobenzoato)bis-[(1,10-phenanthroline)copper(II)] dihydrate.

Project description:The structure of the the title compound, [Cu(2)(C(7)H(3)ClO(3))(2)(C(12)H(8)N(2))(2)]·2H(2)O, consists of a dimeric unit involving a planar Cu(2)O(2) group arranged around an inversion center. The coordination sphere of the Cu(II) atom can be described as an elongated distorted square pyramid where the basal plane is formed by the two N atoms of the 1,10-phenanthroline mol-ecule and the two O atoms of the hydroxy-chloro-benzoate (hcbe) anion. The long apical Cu-O distance of 2.569 (2) Å involves the O atom of a symmetry-related hcbe anion, building up the dinuclear unit. Each dinuclear unit is connected through O-H⋯O hydrogen bonds involving two water mol-ecules, resulting in an R(4) (2)(8) graph-set motif and building up an infinite chain parallel to (10). C-H⋯O inter-actions further stabilize the chain.

| S-EPMC2983983 | biostudies-literature

Bis(4,7-dichloro-1,10-phenanthroline-κN,N')bis-(dicyanamido-κN)copper(II).

Project description:In the title compound, [Cu(C(2)N(3))(2)(C(12)H(6)Cl(2)N(2))(2)], the Cu(II) atom is coordinated by two chelating 4,7-dichloro-1,10-phenanthroline (4,7-Cl-phen) ligands and two dicyanamide (dca) ligands in a cis arrangement, forming a distorted octa-hedral geometry. The equatorial plane is occupied by three N atoms from two 4,7-Cl-phen ligands and one N atom from a dca ligand at shorter Cu-N distances. Due to the Jahn-Teller effect, the axial positions are occupied by a 4,7-Cl-phen N atom and a dca N atom at longer Cu-N distances. The dca ligands are nearly planar, with a maximum deviations of 0.006 (1) Å. The crystal structure is stabilized by weak C-H⋯N hydrogen bonds, with cyanide N atoms as acceptors, and π-π inter-actions between adjacent phenyl rings [centroid-centroid distance = 3.725 (3) Å].

| S-EPMC2979476 | 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