Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Di-?-aqua-bis-[aqua-(5-carboxyl-ato-1H-1,2,3-triazole-4-carb-oxy-lic acid-?(2) N (3),O (4))lithium].

ABSTRACT: The crystal structure of the title compound, [Li2(C4H2N3O4)2(H2O)4], contains centrosymmetric dinuclear mol-ecules in which two Li(I) ions are bridged by two water O atoms. The metal ion is coordinated by one N,O-bidentate ligand and three water O atoms (one of them is symmetry generated), with one of the bridging water O atoms in the apical position of a distorted square pyramid. The carboxyl-ate group that participates in coordination to the metal ion remains protonated; the other is deprotonated and coordination inactive. An intra-molecular O-H?O hydrogen bond between carboxyl-ate groups is observed. In the crystal, dimers are linked by O-H?O, O-H?N and N-H?O hydrogen bonds, generating a three-dimensional network.

SUBMITTER: Starosta W

PROVIDER: S-EPMC3884415 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Di-μ-aqua-bis-[aqua-(5-carboxyl-ato-1H-1,2,3-triazole-4-carb-oxy-lic acid-κ(2) N (3),O (4))lithium].

Starosta Wojciech W Leciejewicz Janusz J

Acta crystallographica. Section E, Structure reports online 20130823 Pt 9

The crystal structure of the title compound, [Li2(C4H2N3O4)2(H2O)4], contains centrosymmetric dinuclear mol-ecules in which two Li(I) ions are bridged by two water O atoms. The metal ion is coordinated by one N,O-bidentate ligand and three water O atoms (one of them is symmetry generated), with one of the bridging water O atoms in the apical position of a distorted square pyramid. The carboxyl-ate group that participates in coordination to the metal ion remains protonated; the other is deprotona ...[more]

PMID: 24427005

Similar Datasets

1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carb-oxy-lic acid.

Project description:In the title mol-ecule, C(11)H(11)N(3)O(2), the dihedral angle between the benzene and triazole rings is 76.47?(10)°. The crystal structure exhibits inter-molecular O-H?N hydrogen bonds, which lead to the formation of helical chains along [001].

| S-EPMC3275011 | biostudies-literature

catena-Poly[[(6-carb-oxy-pyrazine-2-carboxyl-ato)lithium]-?-aqua].

Project description:The asymmetric unit of the title compound, [Li(C(6)H(3)N(2)O(4))(H(2)O)](n), contains an Li(I) ion with a distorted trigonal-bipyramidal coordination environment. It is chelated by a singly protonated ligand mol-ecule via its heterocyclic N atom, by two O aoms, each donated by an adjacent carboxyl-ate group, and is further coordinated by a water O atom which acts as a bridge, forming a mol-ecular ribbon. A proton attached to one of the carboxyl-ate O atoms is situated on an inversion centre and forms a short centrosymmetric hydrogen bond, generating mol-ecular layers parallel to the ac plane. These layers are held together by weak O-H?O hydrogen bonds in which the coordinated water mol-ecules act as donors, whereas carboxyl-ate O atoms are acceptors.

| S-EPMC3238630 | biostudies-literature

catena-Poly[[(5-carb-oxy-2H-1,2,3-triazole-4-carboxyl-ato-?N,O)sodium]-di-?-aqua-?O:O].

Project description:In the title coordination polymer, [Na(C(4)H(2)N(3)O(4))(H(2)O)(2)](n), the Na(I) atom is six-coordinated by one O atom and one N atom from a 2H-1,2,3-triazole-4-carb-oxy-5-carboxyl-ate ligand and four O atoms from four water mol-ecules, forming a distorted octa-hedal geometry. The Na(I) atoms are bridged by water mol-ecules into a chain structure along [100]. Inter-molecular N-H?O, O-H?N and O-H?O hydrogen bonds connect the chains. An intra-molecular O-H?O hydrogen bond between the carboxyl-ate groups is observed.

| S-EPMC2983283 | biostudies-literature

Bis(5-methyl-1-phenyl-1H-1,2,3-triazole-4-carb-oxy-lic acid) monohydrate.

Project description:The crystal structure of the title compound, 2C(10)H(9)N(3)O(2)·H(2)O, synthesized from azido-benzene and ethyl acetyl-acetate, is stabilized by O-H?O and O-H?N hydrogen bonds.

| S-EPMC3007252 | biostudies-literature

(Quinoline-2-carboxyl-ato-?O)(quinoline-2-carb-oxy-lic acid-?O)bis-(quinoline-2-carb-oxy-lic acid-?N,O)potassium.

Project description:The K atom in the title complex, [K(C(10)H(6)NO(2))(C(10)H(7)NO(2))(3)], lies on a twofold rotation axis that relates one N,O-chelating quinoline-2-carb-oxy-lic acid to the other; their N and O atoms are cis to each other in the distorted octa-hedral coordination geometry. The K atom is also coordinated by another monodentate quinoline-2-carb-oxy-lic acid; the acid is disordered with respect to a monodentate quinoline-2-carboxyl-ate anion; the acid and anion are linked by an O-H?O hydrogen bond. An O-H?N hydrogen bond links adjacent mol-ecules into a linear chain structure along the a axis.

| S-EPMC3007487 | biostudies-literature

3-Carb-oxy-methyl-1H-indole-4-carb-oxy-lic acid.

Project description:In the title compound, C(11)H(9)NO(4), the carboxyl group bonded to the six-membered ring lies close to the plane of the 1H-indole ring system [dihedral angle = 13.13?(9)°], whereas the carb-oxy-lic acid group linked to the five-membered ring by a methyl-ene bridge is close to perpendicular [78.85?(9)°]. In the crystal, O-H?O and N-H?O hydrogen bonds link the mol-ecules, generating (110) sheets.

| S-EPMC3254489 | biostudies-literature

(1H-Benzimidazole-5-carb-oxy-lic acid-κN)(1H-benzimidazole-6-carb-oxy-lic acid-κN)silver(I) perchlorate.

Project description:The reaction of 1H-benzimidazole-5-carb-oxy-lic acid with silver nitrate in the presence of perchloric acid under hydro-thermal conditions yielded the title complex, [Ag(C(8)H(6)N(2)O(2))(2)]ClO(4), which comprises of an [Ag(C(8)H(6)N(2)O(2))(2)] mononuclear cation and a perchlorate anion. The Ag(I) ion is coordinated by two N atoms from two different neutral 1H-benzimidazole-5-carb-oxy-lic acid ligands with an N-Ag-N bond angle of 163.21 (14)°, forming an [Ag(C(8)H(6)N(2)O(2))(2)] mononuclear cation. Although both ligands in the mononuclear cation are monodentate with one N atom coordinated to the metal ion, they are different: one is N(3) coordinated to the Ag (I) ion and the N(1) atom protonated, the other with the N(1) coordinated to the Ag (I) ion and the N(3) atom protonated (and thus formally a 1H-benzimidazole-6-carb-oxy-lic acid rather than a 1H-benzimidazole-5-carb-oxy-lic acid ligand). The planes of the two planar ligands are roughly perpendicular, making a dihedral angle of 84.97 (2)°. The packing of the ions is stablized by extensive O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, and by remote Ag⋯O inter-actions [3.002 (3), 3.581 (5) and 3.674 (5) Å].

| S-EPMC3099977 | biostudies-literature

Methyl 1H-1,2,3-triazole-4-carboxyl-ate.

Project description:The title compound, C(4)H(5)N(3)O(2), features an essentially planar mol-ecule (r.m.s. deviation for all non-H atoms = 0.013?Å). The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds and ?-? stacking inter-actions (centroid-centroid distance 3.882?Å).

| S-EPMC2968371 | biostudies-literature

Bis-(?-pyridine-2,3-dicarboxyl-ato)bis-[aqua-(3-carb-oxy-pyridine-2-carboxyl-ato)indium(III)] tetra-hydrate.

Project description:In the binuclear centrosymmetric title compound, [In(2)(C(7)H(3)NO(4))(2)(C(7)H(4)NO(4))(2)(H(2)O)(2)]·4H(2)O, which contains both pyridine-2,3-dicarboxyl-ate and 3-carb-oxy-pyridine-2-carboxyl-ate ligands, the In(III) atom is six-coordinated in a distorted octa-hedral geometry. One pyridine ligand is N,O-chelated while the other is N,O-chelated and at the same time bridging to the other via the second carboxyl group. In the crystal, an extensive O-H?O hydrogen-bonding network, involving the coordinated and lattice water mol-ecules and the carboxyl groups of the ligands, together with C-H?O and ?-? inter-actions [centroid-centroid distance = 3.793?(1)?Å], leads to the formation of a three-dimensional structure.

| S-EPMC3254334 | biostudies-literature

Guanidinium hexa-aqua-zinc(II) bis[tris-(3-carb-oxy-pyridine-2-carboxyl-ato)zincate].

Project description:In the title mol-ecular salt, (CH(6)N(3))(1.30)[Zn(H(2)O)(6)](0.35)[Zn(C(7)H(4)NO(4))(3)](2), the Zn(II) atom (site symmetry 3) in the anion is coordinated by three N,O-bidentate 3-carb-oxy-pyridine-2-carboxyl-ate monoanions to generate a fac-ZnN(3)O(3) octa-hedral coordination geometry. The guanidinium cation (the C atom has site symmetry 3) and the octa-hedral hexa-aqua-zinc(II) dication (the Zn(2+) cation has site symmetry -3) are occupationally disordered in a 1.30:0.35 ratio. In the crystal, the components are linked by O-H?O and N-H?O hydrogen bonds to generate infinite (001) sheets. Weak aromatic ?-? stacking [centroid-centroid distance = 3.797?(8)?Å] is also observed in the crystal.

| S-EPMC3414107 | 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