Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Propane-1,3-diammonium) bis-(4-hydroxy-pyridine-2,6-dicarboxyl-ato-?O,N,O)zinc(II) 3.5-hydrate.

ABSTRACT: The asymmetric unit of the title compound, (C(3)H(12)N(2))[Zn(C(7)H(3)NO(5))(2)]·3.5H(2)O, contains two formula units. The compound consists of an anionic complex, a doubly protonated propane-1,3-diamine as a counter-ion and 3.5 uncoord-inated water mol-ecules. The coordination polyhedron around the Zn(II )atom is distorted octa-hedral, defined by four O atoms and two N atoms from two Hchel (H(3)chel = 4-hydroxy-pyridine-2,6-dicarboxylic acid) ligands. In the crystal structure, O-H?O, N-H?O and C-H?O hydrogen bonds along with ?-? stacking inter-actions [centroid-centroid distance = 3.473?(2)?Å] are observed to reinforce the crystal cohesion.

SUBMITTER: Ghadermazi M

PROVIDER: S-EPMC2971239 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Propane-1,3-diammonium) bis-(4-hydroxy-pyridine-2,6-dicarboxyl-ato-κO,N,O)zinc(II) 3.5-hydrate.

Ghadermazi Mohammad M Manteghi Faranak F Aghabozorg Hossein H

Acta crystallographica. Section E, Structure reports online 20091017 Pt 11

The asymmetric unit of the title compound, (C(3)H(12)N(2))[Zn(C(7)H(3)NO(5))(2)]·3.5H(2)O, contains two formula units. The compound consists of an anionic complex, a doubly protonated propane-1,3-diamine as a counter-ion and 3.5 uncoord-inated water mol-ecules. The coordination polyhedron around the Zn(II )atom is distorted octa-hedral, defined by four O atoms and two N atoms from two Hchel (H(3)chel = 4-hydroxy-pyridine-2,6-dicarboxylic acid) ligands. In the crystal structure, O-H⋯O, N-H⋯O and ...[more]

PMID: 21578125

Similar Datasets

Benzene-1,3-diammonium bis-(pyridine-2,6-dicarboxyl-ato)nickelate(II) penta-hydrate.

Project description:In the title compound, (C(6)H(10)N(2))[Ni(C(7)H(3)NO(4))(2)]·5H(2)O, the Ni(II) ion is six-coordinated by two N and four O atoms from two pyridine-2,6-dicarboxyl-ate ligands in a distorted octa-hedral fashion. The crystal packing is stabilized by inter-molecular O-H⋯O and N-H⋯O and weak C-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distances = 3.4669 (19) and 3.764 (2) Å].

| S-EPMC3051631 | biostudies-literature

Propane-1,2-diammonium bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O')nickelate(II) tetra-hydrate.

Project description:The reaction of nickel(II) nitrate hexa-hydrate, propane-1,2-diamine and pyridine-2,6-dicarboxylic acid in a 1:2:2 molar ratio in aqueous solution resulted in the formation of the title compound, (C(3)H(12)N(2))[Ni(C(7)H(3)NO(4))(2)]·4H(2)O or (p-1,2-daH(2))[Ni(pydc)(2)]·4H(2)O (where p-1,2-da is propane-1,2-diamine and pydcH(2) is pyridine-2,6-dicarboxylic acid). The geometry of the resulting NiN(2)O(4) coordination can be described as distorted octa-hedral. Considerable C=O?? stacking inter-actions are observed between the carboxyl-ate C=O groups and the pyridine rings of the (pydc)(2-) fragments, with O?? distances of 3.1563?(12) and 3.2523?(12)?Å and C=O?? angles of 95.14?(8) and 94.64?(8)°. In the crystal structure, a wide range of non-covalent inter-actions, consisting of hydrogen bonding [O-H?O, N-H?O and C-H?O, with D?A distances ranging from 2.712?(2) to 3.484?(2)?Å], ion pairing, ?-? [centroid-to-centroid distance = 3.4825?(8)?Å] and C=O?? stacking, connect the various components to form a supra-molecular structure.

| S-EPMC2961796 | biostudies-literature

Propane-1,3-diammonium bis-[aqua-chlorido(4-hydroxy-pyridine-2,6-di-carboxyl-ato-κO,N,O)mercurate(II)] tetra-hydrate.

Project description:The reaction of mercury(II) chloride dihydrate, propane-1,3-diamine and 4-hydroxy-pyridine-2,6-dicarboxylic acid in a 1:1:1 molar ratio in aqueous solution, resulted in the formation of the title compound, (C(3)H(12)N(2))[Hg(C(7)H(3)NO(5))Cl(H(2)O)](2)·4H(2)O or (pnH(2))[Hg(hypydc)Cl(H(2)O)](2)·4H(2)O (where pn is propane-1,3-diamine and hypydcH(2) is 4-hydroxy-pyridine-2,6-dicarboxylic acid). The metal atom is coordinated by one chloride group, one water mol-ecule cis to the chloride ligand and one (hypydc)(2-) ligand. The coordinated water mol-ecule is almost perpendicular to the plane of the aromatic ring of (hypydc)(2-). The geometry of the resulting HgClNO(3) coordination can be described as distorted square-pyramidal. This structure also contains propane-1,3-diammonium (site symmetry 2) as a counter-ion and four uncoordinated water mol-ecules. There is a wide range of non-covalent inter-actions consisting of hydrogen bonding [of the types O-H⋯O, N-H⋯O and C-H⋯O, with D⋯A ranging from 2.548 (5) to 3.393 (6) Å] and ion pairing.

| S-EPMC2961977 | biostudies-literature

Poly[propane-1,3-diammonium [cuprate(II)-bis-(μ(2)-pyridine-2,3-dicarboxyl-ato)] trihydrate].

Project description:The title polymeric compound {(C(3)H(12)N(2))[Cu(C(7)H(3)NO(4))(2)]·3H(2)O}(n) or {(pnH(2))[Cu(py-2,3-dc)(2)]·3H(2)O}(n) (pn is propane-1,3-diamine and py-2,3-dcH(2) is pyridine-2,3-dicarboxylic acid), was synthesized by reaction of copper(II) chloride dihydrate with a proton-transfer compound, propane-1,3-diammonium pyridine-2,3-dicarboxyl-ate or (pnH(2))(py-2,3-dc), in aqueous solution. The anion is a six-coordinate complex (site symmetry ), with a distorted octa-hedral geometry around Cu(II), consisting of two bidentate pyridine-2,3-dicarboxyl-ate groups and two O atoms of bridging ligands from (py-2,3-dc)(2-) fragments, which are located in trans positions. The (pnH(2))(2+) cation is disordered over two sites by the center of inversion. Inter-molecular hydrogen bonds, π-π [centroid-centroid distances of 3.539 (3) Å] and C-O⋯π stacking inter-actions [O⋯Cg = 3.240 (5) Å; Cg is the center of the pyridine ring], connect the various components into a supra-molecular structure.

| S-EPMC2960456 | biostudies-literature

Benzene-1,3-diammonium bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)cobaltate(II) penta-hydrate.

Project description:In the title compound, (C(6)H(10)N(2))[Co(C(7)H(3)NO(4))(2)]·5H(2)O, the Co(II) ion is six-coordinated in an N(2)O(4) environment by two pyridine-2,6-dicarboxyl-ate (pydc) ligands, having a distorted octa-hedral geometry. The crystal packing is stabilized by inter-molecular N-H?O, O-H?O and weak C-H?O hydrogen bonds. There are also ?-? inter-actions between the pyridine rings of the pydc ligands and between the pydc ligands and the benzene-1,3-diammonium cations, with centroid-centroid distances of 3.4575?(15) and 3.7521?(15)?Å.

| S-EPMC3099797 | biostudies-other

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

Propane-1,2-diaminium bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)cuprate(II) tetra-hydrate.

Project description:In the title compound, (C(3)H(12)N(2))[Cu(C(7)H(3)NO(4))(2)]·4H(2)O, the Cu(II) atom is six-coordinated in a distorted octa-hedral geometry by two tridentate pyridine-2,6-dicarboxyl-ate (pydc) ligands. In the crystal, inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen bonds, as well as ?-? stacking inter-actions between the pyridine rings of the pydc ligands [centroid-centroid distance = 3.4714?(14)?Å] are present. C=O?? inter-actions between the carbonyl groups and pyridine rings [O?centroid distances = 3.150?(2) and 3.2233?(19)?Å] are also observed.

| S-EPMC3152145 | 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

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

Creatininium bis-(pyridine-2,6-dicarboxyl-ato)chromate(III) pyridine-2,6-dicarboxylic acid hexa-hydrate.

Project description:The title compound, (C(4)H(8)N(3)O)[Cr(C(7)H(3)NO(4))(2)]·C(7)H(5)NO(4)·6H(2)O, was obtained by the reaction of Cr(NO(3))(3)·9H(2)O with pyridine-2,6-dicarboxylic acid (pydcH(2)) and creatinine (creat) in aqueous solution (molar ratio 1:2:2). The cation is a protonated creatinine (creatH(+)) while the anion is a bis-pydc(2-) Cr(III) complex. The Cr(III) is coordinated by four oxygen and two nitro-gen atoms of two (pydc)(2-) groups and has a disorted octa-hedral coordination environment. The structure also contains a neutral mol-ecule of pydcH(2) that is hydrogen bonded to the creatH(+) and six mol-ecules of water. Extensive inter-molecular inter-actions, including seventeen classical hydrogen bonds, two weak C-H?O bonds, and C-O?? stacking inter-actions, with O?centroid distances of 3.211?(13) and 3.300?(12)?Å, connect the various components in the crystal structure.

| S-EPMC2959312 | 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