Browse
Submit Data
Databases
API
Help

Dataset Information

12 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Aqua-(2,2'-bipyridine-?N,N')[2-(3-thien-yl)malonato-?O,O']zinc(II) dihydrate.

ABSTRACT: In the crystal structure of the title compound, [Zn(C(7)H(4)O(4)S)(C(10)H(8)N(2))(H(2)O)]·2H(2)O, the Zn(II) ion assumes a trigonal-bipyramidal coordination geometry completed by two N atoms from a 2,2'-bipyridine ligand, two O atoms from a 2-(3-thien-yl)malonate anion and a water mol-ecule. The S atom of the 2-(3-thien-yl)malonate ligand is disordered over two sites with an occupancy ratio of 0.701?(5):0.299?(5). Inter-molecular O-H?O hydrogen bonding is present in the crystal structure.

SUBMITTER: Meng CX

PROVIDER: S-EPMC2971794 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Aqua-(2,2'-bipyridine-κN,N')[2-(3-thien-yl)malonato-κO,O']zinc(II) dihydrate.

Meng Cai-Xia CX Zheng Xue-Gang XG Fu Feng F Zhang Xiao-Ning XN Zhang Peng P

Acta crystallographica. Section E, Structure reports online 20091118 Pt 12

In the crystal structure of the title compound, [Zn(C(7)H(4)O(4)S)(C(10)H(8)N(2))(H(2)O)]·2H(2)O, the Zn(II) ion assumes a trigonal-bipyramidal coordination geometry completed by two N atoms from a 2,2'-bipyridine ligand, two O atoms from a 2-(3-thien-yl)malonate anion and a water mol-ecule. The S atom of the 2-(3-thien-yl)malonate ligand is disordered over two sites with an occupancy ratio of 0.701 (5):0.299 (5). Inter-molecular O-H⋯O hydrogen bonding is present in the crystal structure. ...[more]

PMID: 21578631

Similar Datasets

Aqua-(2,2'-bipyridine-?²N,N')(2-methyl-malonato-?²O¹,O³)copper(II) dihydrate.

Project description:In the title compound, [Cu(C?H?O?)(C??H?N?)(H?O)]·2H?O, the Cu(II) ion displays a slightly distorted square-pyramidal coordination. The water mol-ecule at the apical position shows a long bond [Cu-O = 2.276?(2) Å]. The basal plane is formed by two N atoms of the 2,2'-bipyridine ligand and two carboxyl-ate O atoms from a malonate group. The five-membered chelate ring is almost planar [maximum deviation = -0.006?(2)?Å], while the six-membered chelate ring defined by the malonate ligand adopts a distorted boat conformation. In the crystal, Cu(II) complex mol-ecules and lattice water mol-ecules are connected by O-H?O and C-H?O hydrogen bonds. The crystal packing is further stabilized by ?-? inter-actions [centroid-centroid distances = 3.563?(2)-3.828?(2)?Å].

| S-EPMC3393161 | biostudies-literature

Aqua-(2,2'-bipyridine)bis-(4-hydroxy-benzoato)zinc(II).

Project description:In the title complex, [Zn(C(7)H(5)O(3))(2)(C(10)H(8)N(2))(H(2)O)], the Zn(II) ion is coordinated by two 4-hydroxy-benzoate anions, one 2,2'-bipyridine mol-ecule and one water mol-ecule and displays a distorted octa-hedral geometry. One Zn-O bond [2.5300?(15)?Å] is much longer than the others in the mol-ecule. In the crystal structure, the face-to-face separation of 3.547?(9)?Å suggests no ?-? stacking between parallel bipyridine ring systems, and an extensive O-H?O hydrogen-bonding network between the coordinated water molecule, the phenol group and carboxylate O atoms is present.

| S-EPMC2977467 | biostudies-literature

Aqua-(2,2'-bipyridine)trifluorido-chromium(III) dihydrate.

Project description:The title compound, [CrF(3)(C(10)H(8)N(2))(H(2)O)]·2H(2)O, was prepared by the reaction of CrF(3) and 2,2'-bipyridine under hydrous conditions. The metal centre is coordinated in a distorted octahedral mode by two N atoms from the organic ligand, three F atoms and one O atom of a water molecule. . The crystal packing is stabilized by O-H?O and O-H?F hydrogen-bonding contacts, which form a one-dimensional belt extending parallel to (100).

| S-EPMC2970006 | biostudies-literature

Tetra-aqua-(2,2'-bipyridine-5,5'-dicarboxyl-ato-?N,N')nickel(II) dihydrate.

Project description:In the title compound, [Ni(C(12)H(6)N(2)O(4))(H(2)O)(4)]·2H(2)O, obtained from a basic solution of 2,2'-bipyridine-5,5'-dicarboxyl-ate and nickel(II) chloride in water, the central Ni(II) cation (site symmetry 2) is coordinated by two N atoms from the 2,2'-bipyridine-5,5'-dicarboxyl-ate ligand and four aqua O atoms. The N-Ni-N angle is 78.64?(8)°. Weak but significant ?-? stacking inter-actions exist between the pyridine rings with a centroid-centroid distance of 3.652?(8)?Å. In addition, four O atoms of the two carboxyl groups form hydrogen bonds with both coordinated and uncoordinated water mol-ecules, forming an infinite three-dimensional network.

| S-EPMC2970486 | biostudies-literature

Tetra-aqua-(5,5'-dimethyl-2,2'-bipyridine-?N,N')zinc(II) sulfate.

Project description:The asymmetric unit of the title compound, [Zn(C(12)H(12)N(2))(H(2)O)(4)]SO(4), consists of a Zn(II) complex cation, a sulfate anion and four mol-ecules of water coordinated to the Zn(II) atom. The Zn(II) complex cation, with approximate twofold symmetry, displays a slightly distorted octa-hedral geometry around the Zn(II) atom, which is coordinated by two N atoms from a 5,5'-dimethyl-2,2'-bipyridine ligand and by the O atoms of four water mol-ecules. In the crystal, O-H?O hydrogen bonds help to establish the packing.

| S-EPMC2977444 | biostudies-literature

Tetrakis[?-3-(3-hy-droxy-phen-yl)propenoato]bis-{aqua-(2,2'-bipyridine)-[3-(3-hy-droxy-phen-yl)propenoato]neodymium(III)} 2,2'-bipyridine disolvate dihydrate.

Project description:The dinuclear title compound, [Nd(2)(C(9)H(7)O(3))(6)(C(10)H(8)N(2))(2)]·2C(10)H(8)N(2)·2H(2)O, was synthesized under hydro-thermal conditions. The centrosymmetric complex consists of two nine-coordinated Nd(3+) cations, six 3-hy-droxy-cinnamate anions and two chelating 2,2'-bipyridine mol-ecules. The coordination geometry around the cations can be best described as distorted tricapped trigonal-prismatic. The carboxyl-ate groups show different coordination and bridging modes. Two of them chelate to one Nd(3+) cation, two bridge the two cations in a bis-monodentate fashion, and two chelate to one and bridge monodentately to the symmetry-related Nd(3+) cation. The dinuclear mol-ecule is surrounded by two 2,2'-bipyridine solvent and two water mol-ecules. Extensive O-H?O and O-H?N hydrogen-bonding inter-actions between the components lead to the formation of a three-dimensional network.

| S-EPMC3238786 | biostudies-literature

Poly[[[aqua(2,2'-bipyridine-?N,N')zinc(II)]-?-2-nitroterephthalato-?O:O] monohydrate].

Project description:In the title compound, {[Zn(C(8)H(3)NO(6))(C(10)H(8)N(2))(H(2)O)]·H(2)O}(n), the Zn(II) ion is square-pyramidally coordinated, and bridged by 2-nitro-terephthalate ligands, forming a chain running along [10]. Intra-molecular hydrogen bonds are formed between the coordinated water mol-ecules and the nitro O atoms. Adjacent chains are linked by hydrogen bonds between the coordinated water mol-ecules and the O atoms of the monodentate carboxyl groups.

| S-EPMC3007338 | biostudies-literature

Bis(?-naphthalene-1,8-dicarboxyl-ato)bis-[aqua-(2,2'-bipyridine)zinc(II)] tetra-hydrate.

Project description:The title complex, [Zn(2)(C(12)H(6)O(4))(2)(C(10)H(8)N(2))(2)(H(2)O)(2)]·4H(2)O, is a binuclear complex with two independent Zn(II) ions in a slightly disorted trigonal bipyramidal environment, coordinated by one aqua ligand, two naphthalene-1,8-dicarboxyl-ate ligands and one 2,2'-bipyridine ligand. ?-? Inter-actions [centroid-centroid distance of 3.8489?(5)?Å] and O-H?O hydrogen bonds connect the mol-ecules, forming a three-dimensional structure.

| S-EPMC2959877 | biostudies-literature

Aqua-bis(3'-hydr-oxy-2,2'-bipyridine-3-olato-?N,N')zinc(II).

Project description:In the title complex, [Zn(C(10)H(7)N(2)O(2))(2)(H(2)O)], the Zn(II) ion and water O atom are located on a crystallographic twofold rotation axis and the metal atom assumes a distorted trigonal-bipyramidal ZnN(4)O coordination geometry. An intra-molecular O-H?O hydrogen bond occurs within the ligand and inter-molecular O-H?O hydrogen bonds involving the water mol-ecule result in a sheet structure in the crystal structure. In addition, a short C-O?? contact between the O atom of the deprotonated hydroxyl group and a nearby pyridine ring [O?Cg = 3.977?(2)?Å, where Cg is the centroid of the pyridine ring] is observed.

| S-EPMC2960646 | biostudies-literature

Bis(?-2,2'-disulfanediyldibenzoato)bis-[aqua-(2,2'-bipyridine)-nickel(II)].

Project description:In the centrosymmetric title complex, [Ni(2)(C(14)H(8)O(4)S(2))(2)(C(10)H(8)N(2))(2)(H(2)O)(2)], the Ni(II) atom is coordinated by two N atoms from one 2,2'-bipyridine ligand, three carboxyl-ate O atoms (one bidentate and one monodentate) from two different disulfanediyldibenzoate ligands and one O atom from a coordinated water mol-ecule in an octa-hedral coordination geometry. The disulfanediyldibenzo-ate dianion bridges two Ni(II )atoms. Adjacent mol-ecules are linked through the coordinated water mol-ecules, forming a O-H?O hydrogen-bonded chain running along the a axis.

| S-EPMC3011661 | 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