Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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 ?-? 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??(benzene) inter-actions.

SUBMITTER: Zhao PZ

PROVIDER: S-EPMC2961220 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Zhao Pei-Zheng PZ Xuan Xiao-Peng XP Tang Qing-Hu QH

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

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 str ...[more]

PMID: 21202260

Similar Datasets

Aqua-(2,9-dimethyl-1,10-phenanthroline-?N,N')bis-(2-hydroxy-benzoato-?O)manganese(II) 2,9-dimethyl-1,10-phenanthroline hemisolvate.

Project description:In the asymmetric unit of the title complex, [Mn(C(7)H(5)O(3))(2)(C(14)H(12)N(2))(H(2)O)]·0.5C(14)H(12)N(2), the Mn(II) ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) mol-ecule, one water mol-ecule and two monodentate 2-hydroxy-benzoate anions in a distorted trigonal-bipyramidal geometry. The OH group of the 2-hydroxy-benzoate anion is disordered over two positions with site-occupancy factors of 0.5. The asymmetric unit is completed with by an uncoordinated half-mol-ecule of dmphen, disordered about a crystallographic twofold axis. In the crystal structure, mol-ecules are linked into a two-dimensional framework by O-H?N, O-H?O and C-H?O hydrogen bonds. The packing of the structure is further stabilized by ?-? stacking inter-actions involving dmphen mol-ecules, with centroid-centroid separations of 3.8027?(3) and 3.6319?(3)?Å.

| S-EPMC2968132 | 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)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

Aqua-(2,9-dimethyl-1,10-phenanthroline-?N,N')bis-(3-hydroxy-benzoato-?O)manganese(II)-2,9-dimethyl-1,10-phenanthroline-water (1/1/1).

Project description:In the title compound, [Mn(C(7)H(5)O(3))(2)(C(14)H(12)N(2))(H(2)O)]·C(14)H(12)N(2)·H(2)O, the Mn(II) ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand, two monodentate 3-hydroxy-benzoate anions (3-HBA) and one water mol-ecule in a distorted trigonal-bipyramidal environment. An uncoordinated dmphen and an uncoordinated water mol-ecule cocrystallized with each complex mol-ecule. Intra- and inter-molecular O-H?N and O-H?O hydrogen bonds are also present between the coordinated 3-HBA and water mol-ecules and the uncoordinated dmphen and water mol-ecules in the crystal. The packing of the structure is further stabilized by ?-? stacking inter-actions involving dmphen mol-ecules, with a centroid-centroid separation of 3.705?(3)?Å.

| S-EPMC2977455 | biostudies-literature

Dichlorido(2,9-dimethyl-1,10-phenanthroline-?N,N')cobalt(II).

Project description:In the title compound, [CoCl(2)(C(14)H(12)N(2))], the Co(II) atom is four-coordinated in a distorted tetra-hedral geometry by two N atoms from a 2,9-dimethyl-1,10-phenanthroline ligand and two Cl atoms. The Co atom and the phenanthroline unit are located on a mirror plane. The methyl H atoms are disordered about the mirror plane and areeach half-occupied. In the crystal structure, ?-? inter-actions between the pyridine and benzene rings and between the pyridine rings [centroid-centroid distances = 3.8821?(9) and 3.9502?(10)?Å, respectively] stabilize the structure.

| S-EPMC2983147 | biostudies-literature

(2,9-Dimethyl-1,10-phenanthroline-?N,N')(4-hydroxy-benzoato-?O,O')(nitrato-?O)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 ?-? 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

Diaqua-(2,9-dimethyl-1,10-phenanthroline-?N,N')(4-hydroxy-benzoato-?O,O')cobalt(II) nitrate dihydrate.

Project description:In the title compound, [Co(C(7)H(5)O(3))(C(14)H(12)N(2))(H(2)O)(2)]NO(3)·2H(2)O, the Co(II) ion is six-coordinated by two N atoms of a 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand, two carboxyl-ate O atoms of one 4-hydroxy-benzoate anion and two O atoms of two water mol-ecules, in a distorted octa-hedral environment; the two water mol-ecules occupy the apical positions. In the crystal structure, the ionic units and water mol-ecules are linked through O-H?O hydrogen bonds, leading to the formation of a three-dimensional network. In addition, ?-? inter-actions between a pyridine ring of the dmphen ligand and the benzene ring of the hydroxy-benzoate anion [centroid-centroid separation = 3.6861?(3)?Å] are observed.

| S-EPMC2959819 | biostudies-other

Aqua-(3-hydroxy-benzoato-κO)bis-(1,10-phenanthroline-κN,N')cobalt(II) 3-hydroxy-benzoate penta-hydrate.

Project description:The crystal structure of the title compound, [Co(C(7)H(5)O(3))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(5)O(3))·5H(2)O, consists of Co(II) complex cations, uncoordinated hydroxy-benzoate anions and uncoord-inated water mol-ecules. The Co(II) ion is coordinated by two phenanthroline ligands, a water mol-ecule and a 3-hydroxy-benzoate anion, and displays a distorted octa-hedral geometry. π-π stacking is observed between parallel phenanthroline ligands, the face-to-face separations being 3.454 (19) and 3.435 (7) Å. An extensive hydrogen-bonding network helps to stabilize the crystal structure. The hydroxybenzoate ligand is disordered over two positions, with site occupancy factors 0.6 and 0.4. One solvent water molecule is also disordered over two positions, with site occupancy factors 0.6 and 0.4.

| S-EPMC2960224 | 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)(4-hydroxy-pyridine-2,6-dicarboxyl-ato)copper(II) trihydrate.

Project description:In the title complex, [Cu(C(7)H(3)NO(5))(C(14)H(12)N(2))]·3H(2)O, there are two independent neutral mol-ecules of the Cu complex along with six mol-ecules of water of hydration in the asymmetric unit. The Cu(II )atoms in each complex adopt a distorted square-pyramidal coordination geometry being penta-coordinated by one N and two O atoms of 4-hydroxy-pyridine-2,6-dicarboxyl-ate anions and two N atoms of 2,9-dimethyl-1,10-phenanthroline (dmp) molecules. In the crystal structure, there are O-H?O and C-H?O hydrogen bonds and five ?-? stacking inter-actions with centroid-centroid distances in the range 3.620?(1)-3.712?(1)?Å. In addition, a C-H?? inter-action between a heterocyclic ring of dmp is observed to reinforce the crystal cohesion.

| S-EPMC2969473 | 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