Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(2-amino-6-methyl-pyridinium) tris-(pyridine-2,6-dicarboxyl-ato)zirconate(IV) dihydrate.

ABSTRACT: In the title compound, (C(6)H(9)N(2))(2)[Zr(C(7)H(3)NO(4))(3)]·2H(2)O, the Zr(IV) atom is nine-coordinated by three pyridine-2,6-dicarboxyl-ate ligands in a distorted tricapped trigonal-prismatic ZrN(3)O(6) environment. The crystal packing is stabilized by inter-molecular N-H?O and O-H?O hydrogen bonds.

SUBMITTER: Pasdar H

PROVIDER: S-EPMC3052039 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(2-amino-6-methyl-pyridinium) tris-(pyridine-2,6-dicarboxyl-ato)zirconate(IV) dihydrate.

Pasdar Hoda H Ebdam Ali A Aghabozorg Hossein H Notash Behrouz B

Acta crystallographica. Section E, Structure reports online 20110202 Pt 3

In the title compound, (C(6)H(9)N(2))(2)[Zr(C(7)H(3)NO(4))(3)]·2H(2)O, the Zr(IV) atom is nine-coordinated by three pyridine-2,6-dicarboxyl-ate ligands in a distorted tricapped trigonal-prismatic ZrN(3)O(6) environment. The crystal packing is stabilized by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds. ...[more]

PMID: 21522235

Similar Datasets

Bis(2,4,6-triamino-1,3,5-triazin-1-ium) tris-(pyridine-2,6-dicarboxyl-ato)-zirconate(IV) tetra-hydrate.

Project description:The title compound, (C(3)H(7)N(6))(2)[Zr(C(7)H(3)NO(4))(3)]·4H(2)O or (tataH)(2)[Zr(pydc)(3)]·4H(2)O (tata is 2,4,6-triamino-1,3,5-triazine and pydcH(2) is pyridine-2,6-dicarboxylic acid), was obtained by reaction between pydcH(2), tata and zirconyl chloride octa-hydrate in aqueous solution. In the structure, the Zr(IV )atom is nine-coordinated by three (pydc)(2-) groups, resulting in an anionic complex which is balanced by two (tataH)(+) cations. One of the NH(2) groups shows positional disorder, with site occupation factors of 0.60 and 0.40. There are four uncoordinated water mol-ecules (one of which is disordered with occupation factors of 0.70 and 0.30) in the crystal structure. Several inter-molecular inter-actions, including O-H?O, O-H?N, N-H?O, N-H?N, C-H?O and C-H?N hydrogen bonds, a C-O?? inter-action [O?Cg 3.89, C?Cg 4.068?(3)?Å; C-O?Cg 89° where Cg is the centroid of the triamine ring], and ?-? stacking [with centroid-centroid distances of 3.694?(2) and 3.802?(2)?Å] are also present.

| S-EPMC2959331 | biostudies-literature

Propane-1,2-diaminium tris-(pyridine-2,6-dicarboxyl-ato-?O,N,O)zirconate(IV) trihydrate.

Project description:In the title compound, (C(3)H(12)N(2))[Zr(C(7)H(3)NO(4))(3)]·3H(2)O, the Zr(IV) cation is chelated by three pyridine-2,6-dicarboxyl-ate anions in a distorted tricapped trigonal-prismatic environment. The crystal structure is stabilized by inter-molecular N-H?O and O-H?O hydrogen bonds.

| S-EPMC3089104 | biostudies-literature

2,6-Diamino-pyridinium bis-(4-hydroxy-pyridine-2,6-dicarboxyl-ato-?O,N,O)ferrate(III) dihydrate.

Project description:The reaction of iron(II) sulfate hepta-hydrate with the proton-transfer compound (pydaH)(hypydcH) (pyda = pyridine-2,6-diamine; hypydcH(2) = 4-hydroxy-pyridine-2,6-dicarboxylic acid) in an aqueous solution led to the formation of the title compound, (C(5)H(8)N(3))[Fe(C(7)H(3)NO(5))(2)]·2H(2)O. The anion is a six-coordinated complex with a distorted octa-hedral geometry around the Fe(III) atom. Extensive inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds, involving the complex anion, (pydaH)(+) counter-ion and two uncoordinated water mol-ecules, and ?-? [centroid-to-centroid distance 3.323?(11)?Å] and C-O?? [O-centroid distance 3.150?(15)?Å] inter-actions connect the various components into a supra-molecular structure.

| S-EPMC2959321 | biostudies-literature

2,6-Diamino-pyridinium bis-(4-hydroxy-pyridine-2,6-dicarboxyl-ato-?O,N,O)chromate(III) dihydrate.

Project description:The reaction of chromium(III) nitrate hexa-hydrate, pyridine-2,6-diamine and 4-hydroxy-pyridine-2,6-dicarboxylic acid in a 1:2:2 molar ratio in aqueous solution resulted in the formation of the title compound, (C(5)H(8)N(3))[Cr(C(7)H(3)NO(5))(2)]·2H(2)O or (pydaH)[Cr(hypydc)(2)]·2H(2)O (where pyda is pyridine-2,6-diamine and hypydcH(2) is 4-hydroxy-pyridine-2,6-dicarboxylic acid). Each Cr(III )atom is hexa-coordinated by four O and two N atoms from two (hypydc)(2-) fragments, which act as tridentate ligands, in a distorted octa-hedral geometry. The O-Cr-O-C torsion angles between the two planes of the (hypydc)(2-) fragments [-99.81?(17) and 97.77?(17)°] indicate that these two units are almost perpendicular to one another. In the crystal structure, extensive O-H?O, N-H?O and C-H?O hydrogen bonds with D?A distances ranging from 2.560?(2) to 3.279?(3)?Å, ion pairing, C-O?? [O?? = 3.166?(2)?Å] and ?-? stacking inter-actions between (hypydc)(2-) and (pydaH)(+) rings [with a centroid-centroid distance of 3.3353?(14)?Å] contribute to the formation of a three-dimensional supra-molecular structure.

| S-EPMC2960621 | biostudies-literature

Bis(2,6-diamino-pyridinium) bis-(pyridine-2,6-dicarboxyl-ato)zincate(II) monohydrate.

Project description:In the title hydrated mol-ecular salt, (C(5)H(8)N(3))(2)[Zn(C(7)H(3)NO(4))(2)]·H(2)O, the Zn(II) atom is coordinated by two O,N,O'-tridentate pyridine-2,6-dicarboxyl-ate dianions, generating a slightly distorted trans-ZnN(2)O(4) octa-hedral coordination geometry for the metal ion. In the crystal, a network of O-H?O, N-H?O and C-H?O hydrogen bonds involving the cations, anions and water mol-ecules results in a three-dimensional network.

| S-EPMC3120536 | biostudies-literature

Poly[[tetra-aqua-bis-(μ(3)-pyridine-2,6-dicarboxyl-ato)(μ(2)-pyridine-2,6-dicarboxyl-ato)dilanthanum(III)] dihydrate].

Project description:There are two independent La(III) cations in the polymeric title compound, {[La(2)(C(7)H(3)NO(4))(3)(H(2)O)(4)]·2H(2)O}(n). One is nine-coordinated in an LaN(2)O(7) tricapped trigonal-prismatic geometry formed by three pyridine-2,6-dicarboxyl-ate anions and two water mol-ecules, while the other is ten-coordinated in an LaNO(9) bicapped square-anti-prismatic geometry formed by four pyridine-2,6-dicarboxyl-ate anions and two water mol-ecules. The two La(III) cations are separated by a non-bonding distance of 5.026 (3) Å. The pyridine-2,6-dicarboxyl-ate anions bridge the La(III) cations, forming a three-dimensional polymeric complex. The crystal structure contains extensive classical O-H⋯O hydrogen bonds and weak inter-molecular C-H⋯O hydrogen bonds. The crystal structure is further consolidated by π-π stacking between pyridine rings, the shortest centroid-centroid distance between parallel pyridine rings being 3.700 (5) Å.

| S-EPMC3200968 | biostudies-literature

Bis(2-amino-4-methyl-pyridinium) bis-(pyridine-2,6-dicarboxyl-ato)cuprate(II).

Project description:The asymmetric unit of the title compound, (C(6)H(9)N(2))(2)[Cu(C(7)H(3)NO(4))(2)], contains half of a [Cu(pydc)(2)](2-) (pydcH(2) is pyridine-2,6-dicarb-oxy-lic acid) anion and one protonated 2-amino-4-methyl-pyridine (2a4mpH)(+) counter-ion. The anion is a six-coordinated complex with a distorted CuN(2)O(4) octa-hedral geometry around the Cu(II) ion. N-H?O and C-H?O hydrogen bonds along with ?-? contacts between the pyridine rings of the (2a4mpH)(+) cations [centroid-centroid distance = 3.573?(2)?Å] stabilize the crystal structure.

| S-EPMC3051671 | biostudies-literature

3-(Amino-carbon-yl)pyridinium diaqua-bis-(pyridine-2,6-dicarboxyl-ato)bis-muthate(III) monohydrate.

Project description:The asymmetric unit of the ionic title compound, (C(6)H(7)N(2)O)[Bi(C(7)H(3)NO(4))(2)(H(2)O)(2)]·H(2)O or (acpyH)[Bi(pydc)(2)(H(2)O)(2)]·H(2)O, contains an [Bi(pydc)(2)(H(2)O)(2)](-) anion (where pydcH(2) is pyridine-2,6-dicarb-oxy-lic acid), a protonated 3-(amino-carbon-yl)pyridine as counter-ion, (acpyH)(+), and one uncoordinated water mol-ecule. The anion is an eight-coordinate complex with a square-anti-prismatic geometry around the Bi(III) atom. In the crystal, extensive O-H?O and N-H?O hydrogen bonds, as well as ion pairing, C=O?? inter-actions [O?centroid distance = 3.583?(5)?Å], ?-? stacking [centroid-centroid distance = 3.864?(3)?Å], and C-H?? and C-H?O inter-actions, play an important role in the formation and stabilization of the three-dimensional supra-molecular structure.

| S-EPMC3393208 | biostudies-literature

Hexaaqua-nickel(II) tetra-aqua-bis-(?-pyridine-2,6-dicarboxyl-ato)bis-(pyridine-2,6-dicarboxyl-ato)trinickelate(II) octa-hydrate.

Project description:The title compound, [Ni(H(2)O)(6)][Ni(3)(C(7)H(3)NO(4))(4)(H(2)O)(4)]·8H(2)O, was obtained by the reaction of nickel(II) nitrate hexa-hydrate with pyridine-2,6-dicarb-oxy-lic acid (pydcH(2)) and 1,10-phenanothroline (phen) in an aqueous solution. The latter ligand is not involved in formation of the title complex. There are three different Ni(II) atoms in the asymmetric unit, two of which are located on inversion centers, and thus the [Ni(H(2)O)(6)](2+) cation and the trinuclear {[Ni(pydc)(2)](2)-?-Ni(H(2)O)(4)}(2-) anion are centrosymmetric. All Ni(II) atoms exhibit an octa-hedral coordination geometry. Various inter-actions, including numerous O-H?O and C-H?O hydrogen bonds and C-O?? stacking of the pyridine and carboxyl-ate groups [3.570?(1), 3.758?(1) and 3.609?(1)?Å], are observed in the crystal structure.

| S-EPMC3007465 | biostudies-literature

4-(4-Pyrid-yl)pyridinium bis-(pyridine-2,6-dicarboxyl-ato)ferrate(III) tetra-hydrate.

Project description:In the title compound, (C(10)H(9)N(2))[Fe(C(7)H(3)NO(4))(2)]·4H(2)O or (bpyH)[Fe(pydc)(2)]·4H(2)O, the asymmetric unit contains an [Fe(pydc)(2)](-) (pydcH(2)= pyridine-2,6-dicarboxylic acid) anion, a protonated 4,4'-bipyridine as a counter-ion, (bpyH)(+), and four uncoordinated water mol-ecules. The anion is a six-coordinate complex with a distorted octa-hedral geometry around the Fe(III )atom. A wide range of non-covalent inter-actions, i.e. O-H?O, O-H?N and N-H?O hydrogen bonds, ion pairing, C-O?? [3.431?(2)?Å] and C-H?? stacking inter-actions result in the formation of a three-dimensional network structure.

| S-EPMC2983936 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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