Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Penta-aqua-(4,6-dihy-droxy-benzene-1,3-disulfonato-?O(1))zinc penta-hydrate.

ABSTRACT: The Zn(II) atom in the title complex, [Zn(C(6)H(4)O(8)S(2))(H(2)O)(5)]·5H(2)O, is coordinated by five water mol-ecules and an O atom of a 4,6-dihy-droxy-benzene-1,3-disulfonate dianion. The coord-ination geometry is distorted octa-hedral, with the Zn-O(sulfonate) bond relatively long compared to the Zn-O(water) bonds. The coordinated and lattice water mol-ecules inter-act with each other and with the hy-droxy groups and sulfonate ligand through O-H?O hydrogen bonds, generating a tightly held three-dimensional network.

SUBMITTER: Zhu ZB

PROVIDER: S-EPMC3343881 | biostudies-other | 2012 Apr

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Penta-aqua-(4,6-dihy-droxy-benzene-1,3-disulfonato-κO(1))zinc penta-hydrate.

Zhu Zhi-Biao ZB Gao Shan S Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120328 Pt 4

The Zn(II) atom in the title complex, [Zn(C(6)H(4)O(8)S(2))(H(2)O)(5)]·5H(2)O, is coordinated by five water mol-ecules and an O atom of a 4,6-dihy-droxy-benzene-1,3-disulfonate dianion. The coord-ination geometry is distorted octa-hedral, with the Zn-O(sulfonate) bond relatively long compared to the Zn-O(water) bonds. The coordinated and lattice water mol-ecules inter-act with each other and with the hy-droxy groups and sulfonate ligand through O-H⋯O hydrogen bonds, generating a tightly held thr ...[more]

PMID: 22589849

Similar Datasets

Poly[aqua-(?(11)-4,6-dihy-droxy-benzene-1,3-disulfonato)-dipotassium].

Project description:In the title salt, [K(2)(C(6)H(4)O(8)S(2))(H(2)O)](n), both K(+) ions exhibit a seven-coordination with K-O bond lengths in the range 2.6600?(14) to 3.0522?(16)?Å. One K(+) ion is coordinated by seven O atoms from the sulfonate and phenolic hy-droxy groups of six 4,6-dihy-droxy-benzene-1,3-disulfonate (L(2-)) anions while the other K(+) ion is coordinated by six O atoms from the sulfonate and phenolic hy-droxy groups of five L(2-) anions and one water O atom. The L(2-) anion exhibits chelating-bridging multidentate coordination to potassium, resulting in the formation of a cross-linked three-dimensional network.

| S-EPMC3238653 | biostudies-literature

Penta-aqua-(acetonitrile-?N)zinc(II) 4,6-dihydroxy-benzene-1,3-disulfonate trihydrate.

Project description:In the title compound, [Zn(CH(3)CN)(H(2)O)(5)](C(6)H(4)O(8)S(2))·3H(2)O, the Zn(II) ion lies on a mirror plane and is octa-hedrally coordinated by one acetonitrile ligand and five water mol-ecules. The 4,6-dihydroxy-benzene-1,3-disulfonate anion, acting as a counter-ion, is also located on the mirror plane. The crystal packing is stabilized by O-H?O hydrogen bonds, forming a three-dimensional supra-molecular network.

| S-EPMC2983642 | biostudies-literature

4,6-Dihy-droxy-4,6-dimethyl-1,3-diazinane-2-thione.

Project description:In the title compound, C(6)H(12)N(2)O(2)S, the heterocyclic ring has a sofa conformation. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯O hydrogen-bond inter-action with graph-set motif S(6). In the crystal, mol-ecules are linked by O-H⋯S, N-H⋯S and N-H⋯O hydrogen-bond inter-actions, forming an extended two-dimensional framework parallel to the ac plane.

| S-EPMC3200700 | biostudies-literature

?-2,5-Dihy-droxy-terephthalato-bis-[tri-aqua-(1,10-phenanthroline)zinc] dihy-droxy-terephthalate.

Project description:In the title compound, [Zn2(C8H4O6)(C12H8N2)2(H2O)6](C8H4O6), the complete ions of both the binuclear dication and the dianion are generated by crystallographic inversion symmetry. The Zn atom is bonded to an N,N'-bidentate phenanthroline ligand, three water moleules and an O-mono-denate 2,5-dihy-droxy-terephthalate dianion. In the resulting distorted octa-hedral ZnN2O4 coordination poly-hedron, the water O atoms are in a mer orientation. Two intra-molecular O-H?O hydrogen bonds occur in the bridging 2,5-dihy-droxy-terephthalate dianion within the complex cation and also in the free dianion. An intra-molecular Ow-H?O (w = water) hydrogen bond also occurs within the dication. In the crystal, O-H?O hydrogen bonds link the component ions into a three-dimensional network.

| S-EPMC3588754 | biostudies-literature

Poly[[nona-aqua-bis-(?-5-hy-droxy-benzene-1,3-di-carboxyl-ato)(5-hy-droxy-benzene-1,3-di-carboxyl-ato)dicerium(III)] hexa-hydrate].

Project description:In the title coordination polymer, {[Ce2(C8H4O5)3(H2O)9]·6H2O} n , the asymmetric unit is formed by two Ce(III) atoms, three 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands, nine coordinating water mol-ecules and six water mol-ecules of crystallization. The two Ce(III) atoms are bridged by 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands acting in a bis-bidentate coordination mode, generating infinite chains along [101]. Both independent metal atoms are nine-coordinated, one by four O atoms from the carboxyl-ate groups of two bridging 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands and five O atoms from water mol-ecules, generating a tricapped trigonal-prismatic geometry. The coordination around the second Ce(III) atom is similar, except that one of the water mol-ecules is replaced by an O atom from an additional 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligand acting in a monodentate coordination mode and forming a capped square-anti-prismatic geometry.

| S-EPMC4011209 | biostudies-literature

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

Triaqua-(benzene-1,3-dicarboxyl-ato)(4,5-diaza-fluoren-9-one)cadmium(II) penta-hydrate.

Project description:In the title compound, [Cd(C(8)H(4)O(4))(C(11)H(6)N(2)O)(H(2)O)(3)]·5H(2)O, the Cd(II) atom is seven-coordinated by two N atoms from one bidentate phenanthroline-derived ligand and by five O atoms, two from one bidentate benzene-1,3-dicarboxyl-ate (1,3-BDC) ligand and three from water mol-ecules, in a distorted penta-gonal-bipyramidal geometry. Neighbouring units inter-act through ?-? inter-actions [centroid-centroid distances = 3.380?(3) and 3.283?(4)?Å]. Finally, three types of O-H?O hydrogen bonds exist between coordinated dissociative water mol-ecules and hybridization water mol-ecules and carboxyl-ate O atoms, resulting in a two-dimensional network parallel to (010).

| S-EPMC3011731 | biostudies-literature

4,6-Dinitro-benzene-1,3-diamine.

Project description:The mol-ecule of the title compound, C(6)H(6)N(4)O(4), is almost planar, being stabilized by two intra-molecular N-H⋯O hydrogen bonds. Further N-H⋯O links lead to a sheet in the crystal structure.

| S-EPMC2961321 | biostudies-literature

Poly[[hexa-aqua-tris-[μ(2)-2,5-dihy-droxy-1,4-benzoquinona-to(2-)]diholmium(III)] octa-deca-hydrate].

Project description:In the polymeric title compound, {[Ho(2)(C(6)H(2)O(4))(3)(H(2)O)(6)]·18H(2)O}(n), the Ho(III) ion is nine-coordinated by six O atoms derived from three bidentate 2,5-dihy-droxy-1,4-benzoquinonate (DHBQ(2-)) ligands and three O atoms from three water mol-ecules. The Ho(III) ions are connected via three ligands, resulting in the formation of a two-dimensional honeycomb layer parallel to the ab plane. The layer is racemic in which Δ- and Λ-coordination geometries around Ho(III) ions are alternately arranged. The asymmetric unit comprises a third of a Ho(III) ion, located on a threefold axis, one-half of a DHBQ(2-) ion, located on a centre of inversion, one coordinated water mol-ecule and three uncoordinated water mol-ecules.

| S-EPMC2983139 | biostudies-literature

Tetra-aqua-bis(2-methyl-benzimidazolium-1,3-diacetato-κO)zinc(II) tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Zn(C(12)H(11)N(2)O(4))(2)(H(2)O)(4)]·4H(2)O, contains one-half of the complex mol-ecule and two uncoordin-ated water mol-ecules. The four water O atoms in the equatorial plane around the Zn(II) centre ( symmetry) form a distorted square-planar arrangement, while the distorted octa-hedral coordination geometry is completed by the O atoms of the zwitterionic 2-methyl-benzimidazolium-1,3-diacetate ligands in the axial positions. The benzimidazole ring system is planar, with a maximum deviation of 0.041 (3) Å. Intra-molecular O-H⋯O hydrogen bonding results in the formation of a non-planar six-membered ring. In the crystal structure, strong intra- and inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π contacts between benzimidazole rings [centroid-centroid distance = 3.899 (1) Å] may further stabilize the structure.

| S-EPMC2969862 | 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