Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[[diaqua-iron(II)]-?-pyrazine-2,3-dicarboxyl-ato] dihydrate].

ABSTRACT: The crystal structure of the title compound, {[Fe(C(6)H(2)N(2)O(4))(H(2)O)(2)]·2H(2)O}(n), was synthesized by a diffusion method. It has a one-dimensional polymeric chain structure and the chains are further connected into a three-dimensional structure by hydrogen bonds. The Fe(II) ion has a distorted octa-hedral coordination environment, with two N and two O atoms from the pyrazine-2,3-dicarboxyl-ate ligands in the equatorial plane and with two water mol-ecules in axial positions. The Fe atom lies on a crystallographic centre of symmetry and a twofold rotation axis passes through the pyrazine ring.

SUBMITTER: Xu H

PROVIDER: S-EPMC2915058 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[[[diaqua-iron(II)]-μ-pyrazine-2,3-dicarboxyl-ato] dihydrate].

Xu Haiyun H Ma Huailing H Xu Maotian M Zhao Wenxian W Guo Baoguo B

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

The crystal structure of the title compound, {[Fe(C(6)H(2)N(2)O(4))(H(2)O)(2)]·2H(2)O}(n), was synthesized by a diffusion method. It has a one-dimensional polymeric chain structure and the chains are further connected into a three-dimensional structure by hydrogen bonds. The Fe(II) ion has a distorted octa-hedral coordination environment, with two N and two O atoms from the pyrazine-2,3-dicarboxyl-ate ligands in the equatorial plane and with two water mol-ecules in axial positions. The Fe atom l ...[more]

PMID: 21200463

Similar Datasets

catena-Poly[[[triaqua-copper(II)]-μ(2)-pyrazine-2,3-dicarboxyl-ato] monohydrate].

Project description:The Cu atom in the title complex, {[Cu(C(6)H(2)N(2)O(4))(H(2)O)(3)]·H(2)O}(n) or {[Cu(L)(H(2)O)(3)]·H(2)O}(n) (L is pyrazine-2,3-dicarbox-yl-ate), displays octa-hedral coordination formed by the ligand L and three coordinated water mol-ecules. The ligand L is tridentate, with one N atom of the pyrazine ring and one O atom of one carboxyl-ate group forming a chelate ring, whereas one O atom from the second carboxyl-ate group is coordinated to another Cu atom. The ligand L links mol-ecules to form an infinite chain parallel to the [101] direction. The chains are further linked through O-H⋯O and O-H⋯N hydrogen bonds involving the water mol-ecules to build up a three-dimensional network.

| S-EPMC2914943 | biostudies-literature

catena-Poly[[[diaqua-iron(II)]-μ-pyridine-2,5-dicarboxyl-ato-[tetra-aqua-iron(II)]-μ-pyridine-2,5-dicarboxyl-ato] tetra-hydrate].

Project description:In the crystal structure of the title compound, {[Fe(2)(C(7)H(3)NO(4))(2)(H(2)O)(6)]·4H(2)O}(n), there are two types of coordination for the Fe(II) atoms. One Fe(II) atom is in a distorted octa-hedral N(2)O(4) environment, with two chelating rings from the pyridine-dicarboxyl-ate ligands and two O atoms from the water mol-ecules, while the other is in a distorted octa-hedral O(6) environment with two O atoms from the pyridine-dicarboxyl-ate ligands and four O atoms from the water mol-ecules. Both Fe(II) atoms lie on crystallographic centers of symmetry. The complex possesses an infinite chain structure running along the [101] direction. These chains are inter-connected by the uncoordinated water mol-ecules through O-H⋯O hydrogen bonds.

| S-EPMC2960407 | biostudies-literature

catena-Poly[[[diaqua-manganese(II)]-?(3)-pyridine-2,3-dicarboxyl-ato-?N,O:O:O] dihydrate].

Project description:In the title coordination polymer, {[Mn(C(7)H(3)NO(4))(H(2)O)(2)]·2H(2)O}(n), the Mn(II) ion is coordinated in a distorted octahedral environment by the O atoms of two water mol-ecules, one N and one O atoms of the chelating pyridine-2,3-dicarboxyl-ate (PDC) dianion, and two axial bridging carboxyl-ate O atoms from two adjacent PDC ligands. The fully deprotonated PDC anion acts a ?(3)-bridging ligand, establishing a chain structure along the a axis. These polymeric chains are connected into a three-dimensional framework via several inter-molecular O-H?O hydrogen bonds.

| S-EPMC2959413 | biostudies-literature

catena-Poly[[[diaqua-nickel(II)]-?-pyrazine-2-carboxyl-ato-silver(I)-?-pyrazine-2-carboxyl-ato] nitrate dihydrate].

Project description:In the polymeric complex of the title compound, {[AgNi(C(5)H(3)N(2)O(2))(2)(H(2)O)(2)]NO(3)·2H(2)O}(n), the Ag(I) ion displays an angular coordination geometry with two N atoms from pyrazine-2-carboxyl-ate ligands, and the Ni(II) ion is hexa-coordinated by two O atoms from two water mol-ecules, two O and two N atoms from pyrazine-2-carboxyl-ate ligands in a distorted octa-hedral geometry. In the crystal, the Ag(I) and Ni(II) ions lie on a mirror plane and an inversion centre, respectively. The complex chains, the nitrate ions and the uncoordinated water mol-ecules are linked together through O-H?O hydrogen bonds and weak Ag?O inter-actions [2.619?(17)-2.749?(17)?Å] into a three-dimensional network.

| S-EPMC3344408 | biostudies-literature

Poly[[diaqua-μ(4)-pyrazine-2,3-dicarboxyl-ato-κN,O:O:O,O:O-strontium(II)] monohydrate].

Project description:In the title compound, {[Sr(C(6)H(2)N(2)O(4))(H(2)O)(2)]·H(2)O}(n), the Sr(II) ions are bridged by the pyrazine-2,3-dicarboxyl-ate ligands with the formation of two-dimensional polymeric layers parallel to the ac plane. Each Sr(II) ion is eight-coordinated by one N and five O atoms from the four ligands and two water mol-ecules. The coordination polyhedron is derived from a penta-gonal bipyramid with an O atom at the apex on one side of the equatorial plane and two O atoms sharing the apical site on the other side. The coordinated and uncoordinated water mol-ecules are involved in O-H⋯O and O-H⋯N hydrogen bonds, which consolidate the crystal structure.

| S-EPMC2961772 | biostudies-literature

catena-Poly[[diaqua-manganese(II)]-?-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato].

Project description:In the title polymer, [Mn(C(8)H(8)O(5))(H(2)O)(2)](n), the Mn(II) atom is in a distorted octa-hedral coordination mode, binding to the bridging O atom of the bicyclo-heptane unit, two O atoms from corresponding carboxyl-ate groups, one carboxyl-ate O atom from a symmetry-related bridging ligand and two water O atoms. This arrangement leads to the formation of polymeric chains propagating parallel to [001]. The crystal structure is stabilized by several O-H?O hydrogen-bonding inter-actions involving the coordinated water mol-ecules as donors and the carboxyl-ate O atoms as acceptors.

| S-EPMC2979419 | biostudies-literature

catena-Poly[[[diaqua-copper(II)]-μ-quinoline-2,3-dicarboxyl-ato-κ(3)N,O(2):O(3)] monohydrate].

Project description:In the title compound, {[Cu(C(11)H(5)NO(4))(H(2)O)(2)]·H(2)O}(n), the Cu(II) ion is five-coordinated by two O atoms and one N atom of two symmetry-related quinoline-2,3-dicarboxyl-ate ligands, and two water mol-ecules. The water mol-ecules occupy basal and apical positions of the square-pyramidal coordination polyhedron. Each quinoline-2,3-dicarboxyl-ate dianion bridges two adjacent Cu(II) ions, forming a polymeric chain along [010]. The chains are further connected via O-H⋯O hydrogen-bonding inter-actions and quinoline ring π-π inter-actions [centroid-centroid distance = 3.725 (4) Å], generating a three-dimensional structure. Lattice water mol-ecules participate in the crystal structure via O-H⋯O hydrogen bonds.

| S-EPMC3515140 | biostudies-literature

catena-Poly[[diaqua-copper(II)]-?-7-oxa-bicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato].

Project description:In the crystal structure of the title compound, [Cu(C(8)H(8)O(5))(H(2)O)(2)](n), the Cu(II) cation is in a Jahn-Teller distorted six-coordination by two O atoms from water molecules, by the bridging O atom from the bicyclo moiety, by two carboxylate O atoms from two different carboxylate groups and by one carboxylate O atom from a symmetry-related bridging ligand.The polymeric structure is made up from double-strands propagating parallel to the c axis that are held together via inter-molecular O-H?O hydrogen bonds.

| S-EPMC2968279 | biostudies-literature

Poly[?-aqua-diaqua-(?(2)-pyrazine-2,3-dicarboxyl-ato)dilithium(I)].

Project description:The asymmetric unit of the title compound, [Li(2)(C(6)H(2)N(2)O(4))(H(2)O)(3)](n), consists of two independent Li(+) cations, one pyrazine-2,3-dicarboxyl-ate dianion and three water mol-ecules. One of the Li(+) cations has a distorted tetra-hedral geometry, coordinated by one of the carboxyl-ate O atoms of the pyrazine-2,3-dicarboxyl-ate ligand and three O atoms from three water mol-ecules, whereas the other Li(+) cation has a distorted trigonal-bipyramidal geometry, coordinated by a carboxyl-ate O atom of a symmetry-related pyrazine-2,3-dicarboxyl-ate ligand, two water mol-ecules and a chelating pyrazine-2,3-dicarboxyl-ate ligand (by utilizing both N and O atoms) of an adjacent mol-ecule. The synthesis of a hydrated polymeric dinuclear lithium complex formed with two pyrazine-2,3-dicarboxylic acid ligands has been reported previously [Tombul et al. (2008a ?). Acta Cryst. E64, m491-m492]. By comparision to the complex reported here, the dinuclear complex formed with two pyrazine-2,3-dicarboxylic acid ligands differs in the coordination geometry of both Li atoms. The crystal structure further features O-H?O and O-H?N hydrogen-bonding inter-actions involving the water mol-ecules and carboxyl-ate O atoms.

| S-EPMC2971803 | biostudies-other

catena-Poly[[[aqua-(1,10-phenanthroline-κN,N')cadmium(II)]-μ-pyridine-2,3-dicarboxyl-ato-κN,O:O,O] dihydrate].

Project description:The title complex, {[Cd(C(7)H(3)NO(4))(C(12)H(8)N(2))(H(2)O)]·2H(2)O}(n), is a one-dimensional coordination polymer, wherein the Cd atom is seven-coordinated by two 1,10-phenanthroline N atoms, one N and three O atoms from two different pyridine-2,3-dicarboxyl-ate ligands, and one water mol-ecule. It is further extended to a two-dimensional layer structure by hydrogen bonds and π-π stacking inter-actions [centroid-centroid distances of 3.560 (2) and 3.666 (2) Å]. There is a C4 water chain in the structure whose repeat unit contains four water mol-ecules with O⋯O distances in the range 2.748 (3)-2.795 (4) Å. One of the two H atoms of each water of hydration is statistically distributed over two positions with equal occupancy.

| S-EPMC2959933 | 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