Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Benzoato-?O,O')(quinoline-2-carboxyl-ato-?N,O)(quinoline-2-carboxylic acid-?N,O)manganese(II).

ABSTRACT: The crystal structure of the title compound, [Mn(C(7)H(5)O(2))(C(10)H(6)NO(2))(C(10)H(7)NO(2))], contains manganese(II) ions six-coordinated in a distorted octa-hedral environment. The equatorial plane is occupied by four O atoms, two from the carboxyl-ate group of the benzoate ion, the other two from carboxyl-ate/carboxyl groups of the quinaldate/quinaldic acid mol-ecules. The axial positions are occupied by the N atoms of the quinoline ring systems. The metal ion lies on a twofold rotation axis that bisects the benzoate ligand; the quinaldate and quinaldic acid ligands are therefore equivalent by symmetry, and the carboxylate/carboxyl groups are disordered. The complexes are joined together by hydrogen bonds between the carboxyl-ate/carboxyl groups of adjacent quinaldate/quinaldic acid mol-ecules, forming zigzag chains that run along the c axis.

SUBMITTER: Martins ND

PROVIDER: S-EPMC2915171 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Benzoato-κO,O')(quinoline-2-carboxyl-ato-κN,O)(quinoline-2-carboxylic acid-κN,O)manganese(II).

Martins Nuno D ND Silva Joana A JA Ramos Silva Manuela M Matos Beja Ana A Sobral Abilio J F N AJ

Acta crystallographica. Section E, Structure reports online 20071221 Pt 1

The crystal structure of the title compound, [Mn(C(7)H(5)O(2))(C(10)H(6)NO(2))(C(10)H(7)NO(2))], contains manganese(II) ions six-coordinated in a distorted octa-hedral environment. The equatorial plane is occupied by four O atoms, two from the carboxyl-ate group of the benzoate ion, the other two from carboxyl-ate/carboxyl groups of the quinaldate/quinaldic acid mol-ecules. The axial positions are occupied by the N atoms of the quinoline ring systems. The metal ion lies on a twofold rotation axi ...[more]

PMID: 21200595

Similar Datasets

(Benzoato-κO,O')(quinoline-2-carboxyl-ato-κN,O)(quinoline-2-carboxylic acid-κN,O)copper(II).

Project description:The crystal structure of the title compound, [Cu(C(10)H(6)NO(2))(C(7)H(5)O(2))(C(10)H(7)NO(2))], contains copper(II) ions five-coordinated in a distorted trigonal-bipyramidal environment. The equatorial plane is occupied by three O atoms, one from the carboxyl-ate group of the benzoate ion considered as occupying a single coordination site, the other two from two carboxyl-ate groups of the quinaldic acid and quinaldate ligands. The axial positions are occupied by the N atoms of the quinoline ring system. The metal ion lies on a twofold axis that bisects the benzoate ion. The quinaldate and quinaldic acid ligands are equivalent by symmetry, and the carboxyl-ate/carboxyl groups are disordered. The disordered H atom is shared between the carboxyl-ate groups of adjacent quinaldic acid mol-ecules. Such hydrogen bonds delineate zigzag chains that run along the c axis. The structure is very similar to that of the Mn(II) analog.

| S-EPMC2961369 | biostudies-literature

trans-Bis(methanol-κO)bis-(quinoline-2-carboxyl-ato-κN,O)manganese(II).

Project description:The title compound, [Mn(C(10)H(6)NO(2))(2)(CH(4)O)(2)], was obtained unintentionally as the product of an attempt to synthesize a polynuclear carboxyl-ate bridged manganese(III/IV) complex, using methanol to reduce the permanganate ion. The mol-ecule is centrosymmetric; the pairs of equivalent ligands coordinate trans to each other in a distorted octa-hedral geometry. Intra-molecular C-H⋯O bonds lying in the equatorial plane stabilize the mol-ecule. In the crystal, mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds, creating a three-dimensional supra-molecular structure. π-π and C-H⋯π inter-actions are also observed. The dihedral angle and centroid-to-centroid distance between the pyridine ring (A) and the benzene ring (B(i)) of a symmetrically related mol-ecule [symmetry code: (i) -1 - x, -y, -z] are 1.27 (11)° and 3.974 (2) Å, respectively. For the C-H⋯π inter-actions, the relevant distances and angles are: C⋯Cg[A(ii)] = 3.643 (2) Å, H⋯Cg[A(ii)] = 2.750 (2) Å and C-H⋯Cg[A(ii)] = 155 (1)° [symmetry code: (ii) x, -1 + y, z].

| S-EPMC2959585 | biostudies-literature

Bis(methanol-κO)bis-(quinoline-2-carboxyl-ato-κN,O)nickel(II).

Project description:In the title complex, [Ni(C(10)H(6)NO(2))(2)(CH(3)OH)(2)], the Ni(II) ion lies on an inversion center and is coordinated by two quinoline-2-carboxyl-ate ligands in the equatorial sites and two axial methanol ligands, forming a distorted octa-hedral environment. In the crystal, mol-ecules are linked via O-H⋯O hydrogen bonds into a two-dimensional network parallel to (10[Formula: see text]).

| S-EPMC3246941 | biostudies-literature

Bis(μ-5-carboxyl-ato-1-carboxyl-ato-methyl-2-oxidopyridinium)-κO:O;κO:O-[diaqua-(phenan-throline-κN,N')manganese(II)] dihydrate.

Project description:The centrosymmetric binuclear title complex, [Mn(2)(C(8)H(5)NO(5))(2)(C(12)H(8)N(2))(2)(H(2)O)(4)]·2H(2)O, was obtained by the reaction of manganese chloride with 5-carb-oxy-1-carboxy-methyl-2-oxidopyridinium and 1,10-phenanthroline. The Mn(II) atom is coordinated by two N atoms from the 1,10-phenanthroline ligand, two O atoms from two 5-carboxyl-ato-1-carboxyl-atomethyl-2-oxidopyridinium ligands and two water mol-ecules, leading to a distorted octahedral MnN(2)O(4) environment. Inter-molecular O-H⋯O hydrogen bonds link neighbouring mol-ecules into a layer structure parallel to (001).

| S-EPMC2969745 | biostudies-literature

Bis(μ(2)-quinoline-2-carboxyl-ato)-κN,O:O;κO:N,O-bis-[(acetato-κO)(ethanol-κO)lead(II)].

Project description:In the centrosymmetric dinuclear title compound, [Pb(2)(C(10)H(6)NO(2))(2)(CH(3)COO)(2)(C(2)H(5)OH)(2)], one O atom of the carboxyl-ate group of the quinoline-2-carboxyl-ate anion connects the two Pb(II) atoms. The Pb(II) atom is surrounded by four O atoms and one N atom in a Ψ-octa-hedral PbO(4)NE geometry (E is the electron lone pair). Two longer Pb⋯O inter-actions distort the geometry towards a Ψ-square-anti-prism. Inter-molecular O-H⋯O hydrogen bonds link the mol-ecules.

| S-EPMC3051551 | biostudies-literature

catena-Poly[[[diaqua-(1,3-benzimidazole-κN)manganese(II)]-μ-benzene-1,3-di-carboxyl-ato-κO,O:O] dihydrate].

Project description:In the polymeric title complex, {[Mn(C(8)H(4)O(4))(C(7)H(6)N(2))(H(2)O)(2)]·2H(2)O}(n), the Mn(II) cation is coordinated by two benzene-dicarboxyl-ate anions, one benzimidazole ligand and two water mol-ecules in a distorted MnNO(5) octa-hedral geometry. In the crystal, each benzene-dicarboxyl-ate anion bridges adjacent Mn(II) cations through the terminal carboxyl-ate groups, forming a polymeric complex chain along the a axis. One Mn-O(carboxyl-ate) bond is much longer than the others. In the crystal, π-π stacking is observed between nearly parallel [dihedral angle = 4.32 (6)°] benzimidazole aromatic ring systems of adjacent mol-ecules, the centroid-centroid distance between the imidazole and benzene rings being 3.5421 (11) Å. Extensive inter-molecular O-H⋯O and N-H⋯O hydrogen bonding is present in the crystal structure. The two lattice water mol-ecules are located on twofold rotation axes.

| S-EPMC3099958 | biostudies-literature

(2,2'-Bipyridyl-κN,N')tetra-kis(4-methyl-benzoato-κO)manganese(II).

Project description:In the title mononuclear complex, [Mn(C(8)H(7)O(2))(4)(C(10)H(8)N(2))], the Mn(II) atom lies on a twofold rotation axis and has a distorted octa-hedral coordination geometry defined by four O atoms from four 4-methyl-benzoate ligands and two N atoms from one 2,2'-bipyridyl ligand. The crystal structure is stabilized by inter-molecular hydrogen bonds and π-π stacking inter-actions [the centroid-centroid distance between the parallel pyridyl ring of a 2,2'-bipyridyl and benzene ring of a 4-methylbenzoic group of a neighboring complex is 3.839 (2) Å].

| S-EPMC2961244 | biostudies-literature

Diaqua-bis(pyrazine-2-carboxyl-ato-κN,O)manganese(II) dihydrate.

Project description:In the title compound, [Mn(C(5)H(3)N(2)O(2))(2)(H(2)O)(2)]·2H(2)O, the Mn(II) atom, lying on an inversion centre, has a distorted octa-hedral environment and the molecules are linked by O-H⋯O and N-H⋯O hydrogen bonds to form a three-dimensional supra-molecular structure.

| S-EPMC2961000 | biostudies-literature

catena-Poly[[(4-methyl-benzoato-κO)manganese(II)]-μ-aqua-bis-(μ-4-methyl-benzoato-κO:O')[(4-methyl-benzoato-κO)manganese(II)]-bis-(μ-N,N-diethyl-nicotinamide)-κN:O;O:N].

Project description:The asymmetric unit of the title complex, [Mn(2)(C(8)H(7)O(2))(4)(C(10)H(14)N(2)O)(2)(H(2)O)](n), contains two crystallographically independent units. In each one, the Mn(II) ions are bridged by two 4-methyl-benzoate (PMB) ligands and one water mol-ecule. In the crystal structure, each Mn(II) ion is coordinated by three PMB ligands, one water mol-ecule and two symmetry-related N,N-diethyl-nicotinamide (DENA) ligands. Symmetry-related Mn(II) ions are bridged by the N and O atoms of symmetry-related DENA ligands, forming polymeric chains parallel to [100]. The coord-ination environmnts for the Mn(II) ions are slightly distorted octa-hedral. Intra-molecular O-H⋯O hydrogen bonds link bridging water mol-ecules to the carboxyl-ate O atoms of a neigh-boring polymeric chain. In the crystal structure, π-π contacts between benzene rings [centroid-centroid distance = 3.562 (1) Å] and weak C-H⋯π inter-actions are also observed.

| S-EPMC3006929 | biostudies-literature

Bis(3-amino-pyrazine-2-carboxyl-ato-κN,O)diaqua-manganese(II).

Project description:The Mn(II) atom in the title compound, [Mn(C(5)H(4)N(3)O(2))(2)(H(2)O)(2)], exhibits an octa-hedral geometry comprising the two O atoms and two N atoms from two 3-amino-pyrazine-2-carboxyl-ate ligands, which act as chelating ligands, and two water mol-ecules. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds link adjacent mol-ecules into a three-dimensional network. The mol-ecule lies on a twofold rotation axis.

| S-EPMC2983285 | 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