Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Di-?-adipato-??O¹:O?-bis-{aqua-[5,6-di-phenyl-3-(pyridin-2-yl)-1,2,4-triazine-?²N²,N³]copper(II)}.

ABSTRACT: In the centrosymmetric binuclear title complex, [Cu?(C?H?O?)?(C??H??N?)?(H?O)?] or [Cu?(PDPT)?(C?H?O?)?(H?O)?] (PDPT = 3-(2-pyrid-yl)-5,6-diphenyl-1,2,4-triazine, the Cu atom displays a distorted square-pyramidal coordination environment with the basal plane occupied by two PDPT N atoms and two O atoms from different adipate dianions while a water mol-ecule is located at the apical position. Of the two water H atoms, one participates in an intra-molecular hydrogen bond whereas the second participates in an inter-molecular hydrogen bond, which leads to the formation of a chain along [010].

SUBMITTER: Xu W

PROVIDER: S-EPMC3393177 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Di-μ-adipato-κ⁴O¹:O⁶-bis-{aqua-[5,6-di-phenyl-3-(pyridin-2-yl)-1,2,4-triazine-κ²N²,N³]copper(II)}.

Xu Wei W Qi Jin-Li JL

Acta crystallographica. Section E, Structure reports online 20120613 Pt 7

In the centrosymmetric binuclear title complex, [Cu₂(C₆H₈O₄)₂(C₂₀H₁₄N₄)₂(H₂O)₂] or [Cu₂(PDPT)₂(C₆H₈O₄)₂(H₂O)₂] (PDPT = 3-(2-pyrid-yl)-5,6-diphenyl-1,2,4-triazine, the Cu atom displays a distorted square-pyramidal coordination environment with the basal plane occupied by two PDPT N atoms and two O atoms from different adipate dianions while a water mol-ecule is located at the apical position. Of the two water H atoms, one participates in an intra-molecular hydrogen bond whereas the second partici ...[more]

PMID: 22807745

Similar Datasets

Di-?-glutarato-?(4)O(1):O(5)-bis-{aqua-[5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine-?(2)N(2),N(3)]copper(II)}.

Project description:In the centrosymmetric dinuclear title complex, [Cu(2)(C(5)H(6)O(4))(2)(C(20)H(14)N(4))(2)(H(2)O)(2)], the Cu atom displays a distorted square-pyramidal coordination environment with the basal plane occupied by two 5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine N atoms and two O atoms from different glutarate dianions, while a water mol-ecule is located at the apical position. Of the two water H atoms, one is engaged in an intra-molecular O-H?O hydrogen bond, whereas the second is engaged in an inter-molecular O-H?O hydrogen bond. The intermolecular hydrogen bonds lead to the formation of a chain along [010].

| S-EPMC3379125 | biostudies-literature

catena-Poly[[di-?-aqua-bis[aqua-cobalt(II)]]-bis(?(3)-1H-benzimidazole-5,6-dicarboxylato].

Project description:The title compound, [Co(2)(C(9)H(4)N(2)O(4))(2)(H(2)O)(4)](n), is a one-dimensional polymeric complex with bridging 1H-benzimidazole-5,6-dicarboxyl-ate and aqua ligands. The Co(II) cation has an octa-hedral coordination environment provided by an NO(5) donor set. Adjacent polymeric chains extended along the [100] direction are linked by O-H?O and N-H?O hydrogen bonds, generating a three-dimensional network.

| S-EPMC2968675 | biostudies-literature

(Adipato-?(2) O,O')di-aqua-[bis-(pyridin-2-yl-?N)amine]-cobalt(II) trihydrate.

Project description:In the monomeric title complex, [Co(C6H8O4)(C10H9N3)(H2O)2]·3H2O, the distorted octa-hedral CoN2O4 coordination environment comprises two N-atom donors from the bidentate di-pyridyldi-amine ligand, two O-atom donors from one of the carboxyl-ate groups of the bidentate chelating adipate ligand and two water mol-ecules. In addition, there are three solvent water mol-ecules which are involved in both intra- and inter-unit O-H?O hydrogen-bonding inter-actions, which together with an amine-water N-H?O hydrogen bond produce a three-dimensional framework.

| S-EPMC3684895 | biostudies-other

Bis[triaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-?O,N)copper(II)] di-?-aqua-bis-[diaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-?O,N)copper(II)].

Project description:In the title compound, [Cu(C(4)HN(3)O(4))(H(2)O)(3)](2)[Cu(2)(C(4)HN(3)O(4))(2)(H(2)O)(6)], both monomeric and dimeric mol-ecules are present in the solid state. In the monomeric compound, the Cu(II) atom is five-coordinated in a square-pyramidal configuration by one O atom and one N atom from one 1H-1,2,4-triazole-3,5-dicarboxyl-ate (TZDCA(2-)) ligand and three O atoms from water mol-ecules. In the centrosymmetric binuclear complex, each Cu(II) atom is six-coordinated in an octa-hedral geometry by one O atom and one N atom from one TZDCA(2-) ligand and four O atoms from water mol-ecules, two of which bridge the Cu(II) atoms. In the structure, there are intra-molecular O-H?O and N-H?O hydrogen bonds, and in the crystal, inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds link symmetry-related mol-ecules, forming a three-dimensional supra-molecular structure.

| S-EPMC2977176 | biostudies-literature

Di-aqua-bis-[5-(pyrazin-2-yl-?N (1))-3-(pyridin-3-yl)-1,2,4-triazolido-?N (1)]zinc.

Project description:In the title compound, [Zn(C11H7N6)2(H2O)2], the Zn(II) cation, located on an inversion center, is N,N'-chelated by two 5-(pyrazin-2-yl)-3-(pyridin-3-yl)-1,2,4-triazolide anions and is further coordinated by two water mol-ecules in a distorted N4O2 octa-hedral geometry. In the anionic ligand, the pyrazine and pyridine rings are twisted with respect to the central triazole ring by 5.77?(10) and 11.54?(10)°, respectively. In the crystal, classical O-H?N and weak C-H?O hydrogen bonds and ?-? stacking inter-actions between aromatic rings [the centroid-centroid distances between triazole and pyrazine rings, and between triazole and pyridine rings are 3.623?(2) and 3.852?(2)?Å, respectively] connect the mol-ecules into a three-dimensional supra-molecular architecture.

| S-EPMC3998535 | biostudies-literature

Tris(3-amino-5,6-dimethyl-1,2,4-triazine-κN)silver(I) trifluromethane-sulfonate-3-amino-5,6-dimethyl-1,2,4-triazine (1/1).

Project description:The asymmetric unit of the title compound, [Ag(C(5)H(8)N(4))(3)](CF(3)O(3)S)·C(5)H(8)N(4), contains two cations, two anions and two uncoordinated 3-amino-5,6-dimethyl-1,2,4-triazine (admt) ligands. It was prepared from the reaction of silver trifluoro-methane-sulfonate and admt in a 2:3 molar ratio. Both silver(I) ions are bonded to three admt mol-ecules via their 2-position triazine N atoms in almost regular trigonal-planar geometries. Three intra-molecular N-H⋯N hydrogen bonds between adjacent admt mol-ecules in each cation help to maintain their overall near planarities (r.m.s. deviations for the 28 non-H atoms = 0.139 and 0.153 Å). In the crystal, numerous N-H⋯N, N-H⋯O, C-H⋯O, C-H⋯N and C-H⋯F hydrogen-bonding interactions link the components into a three-dimensional network.

| S-EPMC3246953 | biostudies-literature

5,6-Diphenyl-3-(3-pyrid-yl)-1,2,4-triazine.

Project description:In the mol-ecule of the title compound, C(20)H(14)N(4), the triazine ring is attached to two phenyl rings and one pyridine ring. In the crystal, mol-ecules are linked by inter-molecular C-H⋯N hydrogen bonds. The crystal packing is also stabilized by C-H⋯π inter-actions.

| S-EPMC2979911 | biostudies-literature

catena-Poly[[[aqua-copper(II)]-bis-[?-N,N'-bis-(pyridin-4-yl)isophthalamide]-[aqua-copper(II)]-di-?-sulfato] dimethyl-formamide disolvate].

Project description:In the title coordination polymer, {[Cu(SO4)(C18H14N4O2)(H2O)]·C3H7NO} n , the Cu(II) ion is coordinated by two N atoms of two briding N,N'-bis-(pyridin-4-yl)isophthalamide ligands, two O atoms of two bridging SO4(2-) anions and a water mol-ecule, giving a distorted CuN2O3 square-pyramidal geometry. The whole repeating mol-ecular unit is generated by inversion symmetry. This leads to the formation of a looped-chain one-dimensional coordination polymer propagating along [110]. The dimethyl-formamide (DMF) mol-ecules are linked to the chains via O-H?O hydrogen bonds. The chains are linked via N-H?O hydrogen bonds, forming two-dimensional networks parallel to (001). There are also a number of C-H?O inter-actions present and a parallel slipped ?-? inter-action. The latter involves inversion-related pyridine rings with a centroid-centroid distance of 3.594?(2)?Å [normal distance = 3.3338?(13) and slippage = 1.341?Å]. These inter-actions lead to the formation of a three-dimensional structure.

| S-EPMC3588534 | biostudies-other

catena-Poly[[[di-aqua-bis-[1,2-bis-(pyridin-4-yl)diazene]copper(II)]-?-1,2-bis-(pyridin-4-yl)diazene] bis-(perchlorate)].

Project description:In the title compound, {[Cu(C10H8N4)3(H2O)2](ClO4)2} n , the coordination environment of the cationic Cu(II) atom is distorted octa-hedral, formed by pairs of symmetry-equivalent 1,2-bis-(pyridin-4-yl)diazene ligands, bridging 1,2-bis-(pyridin-4-yl)diazene ligands and two non-equivalent water mol-ecules. The 1,2-bis-(pyridin-4-yl)diazene mol-ecules form polymeric chains parallel to [-101] via azo bonds which are situated about inversion centres. Since the Cu(II) atom is situated on a twofold rotation axis, the monomeric unit has point symmetry 2. The perchlorate anions are disordered in a 0.536?(9):0.464?(9) ratio and are acceptors of water H atoms in medium-strong O-H?O hydrogen bonds with graph set R 4 (4)(12). The water mol-ecules, which are coordinated to the Cu(II) atom and are hydrogen-bonded to the perchlorate anions, form columns parallel to [010]. A ?-? inter-action [centroid-centroid distance = 3.913?(2)?Å] occurs between pyridine rings, and weak C-H?O inter-actions also occur.

| S-EPMC3684881 | biostudies-other

Poly[[di-aqua-[?-1,4-bis(pyridin-4-ylmeth-yl)piperazine-?(2) N:N']{?-2,2'-[(1,4-phenyl-ene)bis(-oxy)]di-acetato-?(2) O:O'}cobalt(II)] penta-hydrate].

Project description:In the title compound, {[Co(C10H8O6)(C16H20N4)(H2O)2]·5H2O} n , octa-hedrally coordinated Co(II) ions on crystallographic inversion centres are bound by trans O atoms belonging to two hydro-quinone-O,O'-di-acetate (hqda) anions {systematic name: 2,2'-[(1,4-phenyl-ene)bis-(-oxy)]di-acetate}, two trans-pyridine N-donor atoms from two bis-(pyridin-4-ylmeth-yl)piperazine (4-bpmp) ligands, and two trans aqua ligands. The exobidentate hqda and 4-bpmp ligands form [Co(hqda)(4-bpmp)(H2O)2] n coordination polymer layers parallel to (110) that are anchored into the full crystal structure by O-H?O hydrogen bonding between aqua ligands and ligated hqda O atoms. Disordered water mol-ecules of crystallization occupy incipient channels along [100]. However, these could not modeled reliably and so they were treated with SQUEEZE in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155]; the crystal data take the presence of these mol-ecules into account. The crystal under investigation was twinned by non-merohedry, the twin fraction of the components being 53.3% and 46.7%. Only data from the major twin component were used in the refinement.

| S-EPMC4051029 | 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