Browse
Submit Data
Databases
API
Help

Dataset Information

32 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

[2,9-Bis(3,5-dimethyl-1H-pyrazol-1-yl-κN)-1,10-phenanthroline-κN,N'](methanol-κO)(nitrito-κO,O')cadmium(II) perchlorate.

ABSTRACT: In the title complex, [Cd(NO(2))(C(22)H(20)N(6))(CH(3)OH)]ClO(4), the Cd(II) ion is in a distorted penta-gonal-bipyramidal CdN(4)O(3) coordination geometry. The dihedral angles formed between the mean planes of the pyrazole rings and the phenanthroline ring system are 4.37 (19) and 5.84 (21)°. In the crystal, the anions and cations are connected by inter-molecular O-H⋯O hydrogen bonding, while pairs of weak inter-molecular C-H⋯O hydrogen bonds connect the cations into centrosymmetric dimers. In addition, there is a π-π stacking inter-action involving two symmetry-related benzene rings, with a centroid-centroid distance of 3.437 (3) Å.

SUBMITTER: Liu LZ

PROVIDER: S-EPMC3051935 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

[(Nitrato-κO,O')(nitrito-κO,O')(0.25/1.75)]bis-(1,10-phenanthroline-κN,N')cadmium(II).

Project description:The reaction of cadmium nitrate and sodium nitrite in the presence of 1,10-phenanthroline yields the mixed nitrate-nitrite title complex, [Cd(NO(2))(1.75)(NO(3))(0.25)(C(12)H(8)N(2))(2)]. The metal ion is bis-chelated by two N-heterocycles as well as by the nitrate/nitrite ions in a distorted dodeca-hedral CdN(4)O(4) coordination environment. One nitrite group is ordered; the other is disordered with respect to a nitrate group (ratio 0.75:0.25) concerning the O atom that is not involved in bonding to the metal ion.

| S-EPMC3051692 | biostudies-literature

Aqua-(2,9-dimethyl-1,10-phenanthroline-κN,N')diformato-κO,O';κO-nickel(II) monohydrate.

Project description:The asymmetric unit of the title compound, [Ni(HCO(2))(2)(C(14)H(12)N(2))(H(2)O)]·H(2)O, contains a mononuclear complex mol-ecule hydrogen bonded to a lattice water mol-ecule. The Ni(II) atom exhibits a distorted octa-hedral coordination geometry formed by the N atoms from a 2,9-dimethyl-1,10-phenanthroline ligand, two O atoms of a chelating formate anion, one aqua O atom and one O atom of a coordinating formate anion. The mol-ecules are assembled into chains extending along [100] through by O-H⋯O hydrogen bonds. The supra-molecular chains are further linked into layers parallel to (011) by weak π-π packing inter-actions [centroid-centroid separation = 3.768 (2) Å]. The resulting layers are stacked to meet the requirement of close-packing patterns.

| S-EPMC3200966 | biostudies-literature

Bis(benzoato-κO,O')(2,9-dimethyl-1,10-phenanthroline-κN,N')cobalt(II).

Project description:In the title compound, [Co(C(7)H(5)O(2))(2)(C(14)H(12)N(2))], the Co(II) ion is located on a twofold rotation axis and is chelated by a 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand and two benzoate anions in a distorted octa-hedral geometry. The crystal packing is stabilized by π-π inter-actions between parallel dmphen ligands of neighbouring mol-ecules, with a face-to-face distance of 3.411 (2) Å.

| S-EPMC2960282 | biostudies-literature

(2,9-Dimethyl-1,10-phenanthroline-κN,N')bis-(2-hydroxy-benzoato)-κO;κO,O'-cobalt(II).

Project description:In the title compound, [Co(C(7)H(5)O(3))(2)(C(14)H(12)N(2))], the Co(II) ion is five-coordinated by two N atoms from one 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand and three O atoms from two 2-hydroxy-benzoate anions in a distorted trigonal bipyramidal geometry. The carboxyl-ate group of one of the two 2-hydroxy-benzoate anions is monodentate with a normal Co-O distance [1.9804 (18) Å], while the other is bidentate with two longer Co-O bonds [2.1981 (18) and 2.1359 (19) Å]. The crystal structure is stabilized by aromatic π-π stacking inter-actions [centroid-centroid distances of 4.0380 (3) and 3.8216 (3) Å between dmphen/dmphen and benzene/dmphen rings, respectively] and C-H⋯π(benzene) inter-actions.

| S-EPMC2961220 | biostudies-literature

(2,9-Dimethyl-1,10-phenanthroline-κN,N')(4-hydroxy-benzoato-κO,O')(nitrato-κO)copper(II).

Project description:In the title compound, [Cu(C(7)H(5)O(3))(NO(3))(C(14)H(12)N(2))], the Cu(II) ion is five-coordinated in a slightly distorted square-pyramidal geometry by one O atom of a nitrate anion, two O atoms of a 4-hydroxy-benzoate anion, and two N atoms from a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand. In the crystal structure, inversion-related mol-ecules are linked into dimers by O-H⋯O hydrogen bonds. The packing is further stabilized by π-π inter-actions involving the benzene rings of the dmphen and hydroxy-benzoate units, with centroid-centroid distances of 3.4930 (14) or 3.5727 (14) Å.

| S-EPMC2959601 | 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

(2,9-Dimethyl-1,10-phenanthroline-κN,N')bis-(2-hydroxy-benzoato-κO)copper(II).

Project description:The Cu(II) atoms in the two independent mol-ecules of the title compound, [Cu(C(7)H(5)O(3))(2)(C(14)H(12)N(2))], are each coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) mol-ecule and two monodentate 2-hydroxy-benzoate anions in a distorted tetra-hedral geometry. The crystal packing is stabilized by intra-molecular hydrogen bonding and π-π inter-actions between the dmphen rings of neighboring mol-ecules, with distances between their ring planes of 3.5670 (4) and 3.5181 (9) Å.

| S-EPMC2959880 | biostudies-literature

mer-(3,5-Dichloro-2-oxidobenzaldehyde thio-semicarbazonato-κS,N,O)(methanol-κO)(1,10-phenanthroline-κN,N')nickel(II).

Project description:In the title compound, [Ni(C(8)H(5)Cl(2)N(3)OS)(C(12)H(8)N(2))(CH(3)OH)], the Ni(II) atom is octa-hedrally coordinated by one N, one O and one S atom from a 3,5-dichloro-2-oxidobenzaldehyde thio-semicarbazonate ligand, another O atom from methanol and another two N atoms from 1,10-phenanthroline. The crystal structure is constructed by N-H⋯Cl, N-H⋯N, C-H⋯S and O-H⋯S hydrogen bonds.

| S-EPMC2977580 | biostudies-literature

Bis(3,5-dicarboxy-benzoato-κO,O')(1,10-phenanthroline-κN,N')cadmium(II).

Project description:The mol-ecule of the title compound, [Cd(C(9)H(5)O(6))(2)(C(12)H(8)N(2))], has crystallographic twofold rotation symmetry. The Cd(II) atom, located on the twofold axis, assumes a CdO(4)N(2) distorted octa-hedral coordination geometry. In the crystal structure, the mol-ecules link to each other by O-H⋯O and C-H⋯O hydrogen bonding to form a three-dimensional supra-molecular network.

| S-EPMC2914923 | biostudies-literature

[2-(3,5-Dimethyl-1H-pyrazol-1-yl-κN)-1,10-phenanthroline-κN,N']bis-(thio-cyanato-κN)cadmium(II).

Project description:In the title complex, [Cd(NCS)(2)(C(17)H(14)N(4))], the Cd(II) ion is in a distorted trigonal-bipyramidal CdN(5) coordination geometry. In the crystal structure, there is a π-π stacking inter-action involving a pyrazole ring and a symmetry-related pyridine ring with a centroid-centroid distance of 3.578 (3) Å.

| S-EPMC2970966 | 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