Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

A new polymorph of catena-poly[[tri-aqua-cadmium(II)]-?(2)-pyrazine-2,3-dicarboxyl-ato].

ABSTRACT: The title complex, [Cd(C(6)H(2)N(2)O(4))(H(2)O)(3)](n), is a new monoclinic polymorph. The ortho-rhom-bic form has previously been reported [Ma et al. (2006 ?). Acta Cryst. E62, m2528-m2529]. The Cd-N and Cd-O bond lengths range from 2.265?(3) to 2.333?(3)?Å; a weak Cd-O inter-action is also present, the inter-atomic distance being 2.658?(4)?Å. The Cd(II) ions, which have a distorted penta-gonal-bipyramidal geometry, are bridged by pyrazine-2,3-dicarboxyl-ato ligands, forming a zigzag chain structure. The chains are connected by O-H?O hydrogen bonds into a three-dimensional framework.

SUBMITTER: Yin H

PROVIDER: S-EPMC2977175 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

A new polymorph of catena-poly[[tri-aqua-cadmium(II)]-μ(2)-pyrazine-2,3-dicarboxyl-ato].

Yin Hua H

Acta crystallographica. Section E, Structure reports online 20090722 Pt 8

The title complex, [Cd(C(6)H(2)N(2)O(4))(H(2)O)(3)](n), is a new monoclinic polymorph. The ortho-rhom-bic form has previously been reported [Ma et al. (2006 ▶). Acta Cryst. E62, m2528-m2529]. The Cd-N and Cd-O bond lengths range from 2.265 (3) to 2.333 (3) Å; a weak Cd-O inter-action is also present, the inter-atomic distance being 2.658 (4) Å. The Cd(II) ions, which have a distorted penta-gonal-bipyramidal geometry, are bridged by pyrazine-2,3-dicarboxyl-ato ligands, forming a zigzag chain stru ...[more]

PMID: 21583415

Similar Datasets

catena-Poly[[aqua-(pyrazino[2,3-f][1,10]phenanthroline-?N,N)cobalt(II)]-?-pyrazine-2,3-dicarboxyl-ato-?NO:O].

Project description:In the title compound, [Co(C(6)H(2)N(2)O(4))(C(14)H(8)N(4))(H(2)O)](n), the Co atom is bonded to one N,N'-bidentate pyrazino[2,3-f][1,10]phenanthroline (Pyphen) ligand, one N,O-bidentate pyrazine-2,3-dicarboxyl-ate (PZDC) dianion and one water mol-ecule in a distorted octa-hedral mer-CoN(3)O(3) geometry. The Co(II) atoms are bridged by the PZDC dianions, forming an infinite one-dimensional chain running along the b axis. Adjacent chains pack together through ?-? stacking inter-actions [centroid-centroid separations = 3.498?(4) and 3.528?(4)?Å], and O-H?O and O-H?N hydrogen bonds involving the water mol-ecule complete the structure.

| S-EPMC2960716 | biostudies-literature

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

Project description: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.

| S-EPMC2915058 | biostudies-literature

catena-Poly[[aqua-(imidazole)-cadmium(II)]-?(3)-benzene-1,3-dicarboxyl-ato].

Project description:In the title compound, [Cd(C(8)H(4)O(4))(C(3)H(4)N(2))(H(2)O)](n), the Cd(II) ion is seven-coordinated by five O atoms from three crystallographically independent benzene-1,3-carboxylate ligands, one N atom from the imidazole ligand and one coordinated water mol-ecule. Neighboring Cd(II) ions are bridged by the benzene-1,3-dicarboxyl-ate ligands, forming a zigzag polymeric chain structure. These chains are further extended into a three-dimensional supra-molecular structure through O-H?O and N-H?O hydrogen bonds.

| S-EPMC3006711 | biostudies-literature

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[[[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

catena-Poly[[triaqua-cadmium(II)]-μ-pyridine-2,3-dicarboxyl-ato-κN,O:O].

Project description:The title polymeric compound, [Cd(C(7)H(3)NO(4))(H(2)O)(3)](n) or [Cd(py-2,3-dc)(H(2)O)(3)](n), where py-2,3-dcH(2) is pyridine-2,3-dicarboxylic acid, was obtained by the reaction of cadmium(II) nitrate hexa-hydrate with (pipzH(2))(py-2,3-dc) as a proton-transfer compound in aqueous solution (pipz is piperazine). The mol-ecular structure shows that only the anionic fragment of the starting proton-transfer compound is present in the complex, while the (pipzH(2))(2+) dication has been lost. Each (py-2,3-dc)(2-) ligand bridges two Cd(II) atoms in two different coordination modes, i.e. one end acts as a monodentate and the other end as a bidentate ligand. The three remaining coordination sites on the metal center are occupied by water mol-ecules. The geometric arrangement of the six donor atoms around the Cd(II) atom is distorted octa-hedral. In the crystal structure, O-H⋯O and C-H⋯O hydrogen bonds play an important role in stabilizing the supra-molecular structure.

| S-EPMC2960211 | 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-(dipyrido[3,2-a:2',3'-c]phenazine-?N,N)iron(II)]-?-pyrazine-2,3-dicarboxyl-ato-?N,O:O].

Project description:In the title compound, [Fe(C(6)H(2)N(2)O(4))(C(18)H(10)N(4))(H(2)O)](n), the Fe(II) ion adopts a slightly distorted octahedral mer-FeN(3)O(3) geometry, arising from one N,N'-bidentate dipyrido[3,2-a:2',3'-c]phenazine ligand, one N,O-chelating pyrazine-2,3-dicarboxyl-ate dianion and one water mol-ecule. An O-bonded symmetry-related dianion completes the coordination of the metal. The bridging dianion results in a one-dimensional polymeric chain. Aromatic ?-? stacking inter-actions between ligands [centroid-centroid separations = 3.528?(2) and 3.741?(2)?Å] and O-H?O and O-H?N hydrogen bonds link the chains together, leading to a three-dimensional supra-molecular network.

| S-EPMC2959433 | biostudies-literature

catena-Poly[[aqua-(dipyrido[3,2-a:2',3'-c]phenazine-κN,N)zinc(II)]-μ-pyrazine-2,3-dicarboxyl-ato-κN,O:O].

Project description:In the title compound, [Zn(C(6)H(2)N(2)O(4))(C(18)H(10)N(4))(H(2)O)](n) or [Zn(PZDC)(DPPZ)(H(2)O)](n) (where DPPZ is dipyrido[3,2-a:2',3'-c]phenazine and H(2)PZDC is pyrazine-2,3-dicarboxylic acid), the Zn atom is six-coordinated in a slightly distorted octa-hedral coordination geometry by three N atoms from one DPPZ ligand and one PZDC(2-) dianion, three O atoms from two different PZDC(2-) ligands and one water mol-ecule. Each PZDC(2-) dianion serves as a spacer, connecting adjacent metal atoms into a polymeric chain structure parallel to the b axis. The chain motif is consolidated into a three-dimensional supra-molecular network by O-H⋯O and O-H⋯N hydrogen bonds and π-π aromatic stacking inter-actions involving adjacent DPPZ ligands and PZDC(2-) dianions with centroid-centroid separations of 3.522 (6) and 3.732 (8) Å, respectively.

| S-EPMC2961988 | biostudies-literature

catena-Poly[diacridinium [zinc(II)-di-?-pyrazine-2,3-dicarboxyl-ato-?N,O:O;O:N,O]].

Project description:The crystal structure of the title compound, {(C(13)H(10)N)(2)[Zn(C(6)H(2)N(2)O(4))(2)]}(n), consists of polymeric Zn complex anions and discrete acridinium cations. The Zn cation, located on an inversion center, is N,O-chelated by two pyrazine-2,3-dicarboxyl-ate (pyzdc) anions in the basal plane, and is further coordinated by two carboxyl-ate O atoms from adjacent pyzdc anions in the axial directions with a longer Zn-O bond distance, forming a distorted ZnN(2)O(4) coordination geometry. The pyzdc anions bridge the Zn cations, forming polymeric chains running along the crystallographic b axis. The acridinium cations are linked to the complex chains via N-H?O and C-H?O hydrogen bonding. Significant ?-? stacking between parallel acridinium ring systems is observed in the crystal structure, face-to-face distances being 3.311?(3) and 3.267?(4)?Å.

| S-EPMC3007445 | 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