Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2,9-Dimethyl-1,10-phenanthroline)(4-hydroxy-pyridine-2,6-dicarboxyl-ato)copper(II) trihydrate.

ABSTRACT: 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.

SUBMITTER: Soleimannejad J

PROVIDER: S-EPMC2969473 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(2,9-Dimethyl-1,10-phenanthroline)(4-hydroxy-pyridine-2,6-dicarboxyl-ato)copper(II) trihydrate.

Soleimannejad Janet J Aghabozorg Hossein H Manteghi Faranak F Najafi Shokoh S

Acta crystallographica. Section E, Structure reports online 20090613 Pt 7

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 a ...[more]

PMID: 21582695

Similar Datasets

Tetra-kis(1,10-phenanthroline)bis-(?-pyridine-2,6-dicarboxyl-ato)(pyridine-2,6-di-carboxyl-ato)dicopper(II)terbium(III) nitrate tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Cu(2)Tb(C(7)H(3)NO(4))(3)(C(12)H(8)N(2))(4)]NO(3)·4H(2)O, consists of one-half of the C(2)-symmetric trinuclear coordination cation, one-half of the C(2)-symmetric nitrate anion and two water mol-ecules. In the coordination cation, the Cu(II) atom is coordinated by four N atoms from two 1,10-phenanthroline ligands and two O atoms from a bridging-chelating carboxyl-ate group of the pyridine-2,6-dicarboxyl-ate anion, completing a distorted N(4)O(2) octa-hedral coordination environment. The Tb(III) atom, located on a twofold rotation axis, is nine-coordinated by three tridentate pyridine-2,6-dicarboxyl-ate anions forming an N(3)O(6) donor set. The intra-molecular Cu?Tb distance of 5.0592?(11)?Å indicates weak inter-actions between the Cu(II) and Tb(III) atoms. The coordination cations, nitrate anions and water mol-ecules are connected via O-H?O hydrogen bonds into layers parallel to the (001) plane. Moreover, there are extensive ?-? stacking inter-actions [centroid-centroid distances = 4.332?(7) and 3.878?(5)?Å] between the phenanthroline ligands and between phenanthroline and pyridine-2,6-dicarboxyl-ate ligands.

| S-EPMC3414140 | biostudies-literature

Aqua-(4-hydroxy-pyridine-2,6-dicarboxyl-ato)(1,10-phenanothroline)copper(II) 4.5-hydrate.

Project description:The title compound, [Cu(C(7)H(3)NO(5))(C(12)H(8)N(2))(H(2)O)]·4.5H(2)O or [Cu(hypydc)(phen)(H(2)O)]·4.5H(2)O (phen is 1,10-phenanthroline and hypydcH(2) is 4-hydroxy-pyridine-2,6-dicarboxylic acid), was obtained by the reaction of copper(II) nitrate hexa-hydrate with the proton-transfer compound (phenH)(2)(hypydc) in aqueous solution. Both the cationic and the anionic fragments of the proton-transfer compound are involved in complexation. Each Cu(II) atom has a distorted octa-hedral geometry. It is hexa-coordinated by three O atoms and three N atoms, from one phen fragment (as bidentate ligand), one (hypydc)(2-) unit (as tridentate ligand) and a water mol-ecule. In the crystal structure, O-H⋯O and C-H⋯O hydrogen bonds, and π-π stacking inter-actions [centroid-to-centroid distance 3.5642 (11) Å] between the phen ring systems, contribute to the formation of a three-dimensional supra-molecular structure.

| S-EPMC2915167 | biostudies-literature

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

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

Butane-1,4-diammonium bis-(pyridine-2,6-dicarboxyl-ato)cuprate(II) trihydrate.

Project description:In the title compound, (C(4)H(14)N(2))[Cu(C(7)H(3)NO(4))(2)]·3H(2)O or (bdaH(2))[Cu(pydc)(2)]·3H(2)O (where bda is butane-1,4-diamine and pydcH(2) is pyridine-2,6-dicarboxylic acid), the Cu(II) atom is coordinated by four O atoms [Cu-O = 2.0557 (16)-2.3194 (16) Å] and two N atoms [Cu-N = 1.9185 (18) and 1.9638 (18) Å] from two chelating rings of the pydc(2-) anions, which act as tridentate ligands. The geometry of the resulting CuN(2)O(4) coordination can be described as distorted octa-hedral. The the two pydc(2-) fragments are almost perpendicular to one another [77.51 (11)°]. To balance the charges, two centrosymmetric protonated butane-1,4-diammonium, (bdaH(2))(2+) cations are present. In the crystal structure, extensive O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds [D⋯A = 2.720 (2)-3.446 (3) Å], ion pairing, C-O⋯π [O⋯π = 3.099 (2) Å] and π-π stacking inter-actions between the pydc(2-) rings [centroid-centroid distance = 3.5334 (15) Å] contribute to the formation of a three-dimensional supra-molecular structure.

| S-EPMC2961264 | biostudies-literature

Triaqua-(1,10-phenanthroline-2,9-dicarboxyl-ato)cobalt(II) dihydrate.

Project description:The title compound, [Co(C(14)H(6)N(2)O(4))(H(2)O)(3)]·2H(2)O, has two-fold crystallographic symmetry. The Co(II) atom is in a distorted penta-gonal-bipyramidal coordination environment with two N atoms and two O atoms from a tetradentate 1,10-phenanthroline-2,9-dicarboxyl-ate ligand and one O atom from a water mol-ecule forming the penta-gonal plane, and two O atoms from two water mol-ecules occupying axial positions. In the crystal, adjacent mol-ecules are linked by O-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2983888 | biostudies-other

Bis(9-amino-acridinium) bis-(pyridine-2,6-dicarboxyl-ato)zincate(II) trihydrate.

Project description:In the title compound, (C(13)H(11)N(2))(2)[Zn(C(7)H(3)NO(4))(2)]·3H(2)O, the Zn(II) ion is six-coordinated with the N(4)O(2) donor set being a distorted octa-hedron through two almost perpendicular (r.m.s. deviation of ligand atoms from the mean plane is 0.057?Å) tridentate pyridine-2,6-dicarboxyl-ate ligands [dihedral angle between the ligands = 86.06?(4)°]. The charge is compensated by two 9-amino-acridinium cations protonated on the ring N atom. A variety of inter-molecular contacts, such as ion-ion, N-H?O and O-H?O hydrogen bonds, and ?-? stacking [centroid-centroid distances = 3.4907?(9)-4.1128?(8)?Å], between cations and between anions, play important roles in the formation of the three-dimensional network.

| S-EPMC3343781 | biostudies-literature

Bis(9-amino-acridinium) bis-(pyridine-2,6-dicarboxyl-ato)cuprate(II) trihydrate.

Project description:The asymmetric unit of the title compound, (C(13)H(11)N(2))(2)[Cu(C(7)H(3)NO(4))(2)]·3H(2)O, consists of one [Cu(pydc)(2)](2-) dianion (pydc is pyridine-2,6-dicarboxyl-ate), two 9-amino-acridinum monocations and three uncoordinated water mol-ecules. The Cu(II) atom is coordinated by two pydc dianions acting as tridentate ligands, and forming five-membered chelate rings with copper(II) as the central atom. The Cu(II) atom is surrounded by four O atoms in the equatorial plane and two pyridine N atoms in axial positions, resulting in a distorted octa-hedral coordination geometry. In the crystal, there are two types of O-H⋯O and N-H⋯O hydrogen-bonding synthons linking the anionic and cationic fragments and the water mol-ecules, namely R(4) (4)(16), and R(4) (2)(8). There are also weak C-H⋯O hydrogen bonds, π-π stacking inter-actions [the shortest centroid-centroid distance is 3.350 (2) Å], and a C-O⋯π inter-action [O⋯centroid distance = 3.564 (2) Å], which connect the various components into a three-dimensional network.

| S-EPMC2983232 | biostudies-literature

Bis(9-amino-acridinium) bis-(pyridine-2,6-dicarboxyl-ato)cuprate(II) trihydrate.

Project description:The asymmetric unit of the title compound, (C(13)H(11)N(2))(2)[Cu(C(7)H(3)NO(4))(2)]·3H(2)O or (9-aminoAcr)[Cu(pydc)(2)]·3H(2)O, contains a Cu(pydc)(2) (pydc = pyridine-2,6-dicarboxyl-ate) anion, two protonated 9-amino-acridine (9-aminoAcr)(+) counter-ions and three uncoordinated water mol-ecules. The anion contains a six-coordinated Cu(II) atom within a distorted octa-hedral geometry. Non-covalent inter-actions i.e. N-H⋯O and O-H⋯O hydrogen bonds and inter-molecular π-π contacts between the pyridine rings [centroid-centroid distance = 3.7773 (13) Å] and acridine rings [centroid-centroid distance = 3.4897 (13), 3.7784 (14) and 3.8627 (15) Å] result in the formation of a three-dimensional network.

| S-EPMC2983340 | biostudies-literature

Poly[(μ(5)-2,6-dimethyl-pyridine-3,5-dicarboxyl-ato)zinc].

Project description:In the polymeric title complex, [Zn(C(9)H(7)NO(4))](n), the Zn(II) cation is located on a twofold rotation axis and is coordinated by five 2,6-dimethyl-pyridine-3,5-dicarboxyl-ate (mpdc) anions in a distorted ZnNO(4) trigonal-bipyramidal geometry. The mpdc anion is also located on the twofold rotation axis and bridges five Zn(II) cations, forming the three-dimensional polymeric complex. Weak C-H⋯π inter-actions are present in the crystal structure.

| S-EPMC3151958 | 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