Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis[?-1,3-bis-(1H-imidazol-1-yl)propane-?(2) N (3):N (3')]bis-(di-chlorido-zinc) dihydrate.

ABSTRACT: The title hydrated complex, [Zn2Cl4(C9H12N4)2]·2H2O, is a discrete dinuclear zinc complex with 1,3-bis-(1H-imidazol-1-yl)propane as the bridging ligand. The complex mol-ecule lies about a crystallographic inversion centre. The Zn(II) atom exhibits a distorted tetra-hedral coordination geometry defined by two imidazole N atoms and two Cl atoms. O-H?Cl hydrogen bonding between the lattice water mol-ecules and the terminal Cl atoms of the mol-ecule lead to a two-dimensional structure extending parallel to (100).

SUBMITTER: Wang XJ

PROVIDER: S-EPMC4011251 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis[μ-1,3-bis-(1H-imidazol-1-yl)propane-κ(2) N (3):N (3')]bis-(di-chlorido-zinc) dihydrate.

Wang Xiao-Juan XJ Feng Yun-Long YL

Acta crystallographica. Section E, Structure reports online 20140416 Pt 5

The title hydrated complex, [Zn2Cl4(C9H12N4)2]·2H2O, is a discrete dinuclear zinc complex with 1,3-bis-(1H-imidazol-1-yl)propane as the bridging ligand. The complex mol-ecule lies about a crystallographic inversion centre. The Zn(II) atom exhibits a distorted tetra-hedral coordination geometry defined by two imidazole N atoms and two Cl atoms. O-H⋯Cl hydrogen bonding between the lattice water mol-ecules and the terminal Cl atoms of the mol-ecule lead to a two-dimensional structure extending para ...[more]

PMID: 24860315

Similar Datasets

catena-Poly[cadmium-?-[1,3-bis-(imidazol-1-yl)propane]-di-?-chlorido].

Project description:The title complex, [CdCl(2)(C(9)H(12)N(4))](n), is characterized by the formation of a zigzag chain structure parallel to [001]. In the chain, the Cd(2+) cation is coordinated by four bridging Cl(-) ligands in equatorial positions and two N atoms from symmetry-related and likewise bridging 1,3-bis-(imidazol-1-yl)propane ligands in axial positions, forming a distorted CdCl(4)N(2) octa-hedron.

| S-EPMC3379108 | biostudies-literature

Di-μ-chlorido-bis-(chlorido{2,2'-[3-(1H-imidazol-4-ylmeth-yl)-3-aza-pentane-1,5-di-yl]diphthalimide}copper(II)).

Project description:The centrosymmetric dinuclear Cu(II) complex, [Cu(2)Cl(4)(C(24)H(21)N(5)O(4))(2)], was synthesized by the reaction of CuCl(2)·2H(2)O with the tripodal ligand 2,2'-[3-(1H-imid-azol-4-ylmeth-yl)-3-aza-pentane-1,5-di-yl]diphthalimide (L). Each of the Cu(II) ions is coordinated by two N atoms from the ligand, two bridging Cl atoms and one terminal Cl atom. The Cu(II) coordination can be best be described as a transition state between four- and five-coordination, since one of the bridging Cl atoms has a much longer Cu-Cl bond distance [2.7069 (13) Å] than the other [2.2630 (12) Å]. In addition, the Cu⋯Cu distance is 3.622 (1) Å. The three-dimensional structrure is generated by N-H⋯O, C-H⋯O and C-H⋯Cl hydrogen bonds and π-π inter-actions [centroid-centroid distances = 3.658 (4) and 4.020 (4) Å].

| S-EPMC2971966 | biostudies-literature

1,1'-[(Biphenyl-4,4'-di-yl)bis-(methyl-ene)]di-1H-imidazol-3-ium tetra-chlorido-mercurate(II).

Project description:In the title compound, (C(20)H(20)N(4))[HgCl(4)], the Hg(II) ion is four-coordinated in a tetra-hedral environment defined by four chloride ions. The dihedral angle between the two phenyl rings is 32.83?(15)°. The protonated 1,1'-[(biphenyl-4,4'-di-yl)bis-(meth-yl-ene)]di-1H-imidazol-3-ium cations, showing a cis conformation, link the [HgCl(4)](2-) anions into an R(4) (4)(42) motif via N-H?Cl hydrogen bonds.

| S-EPMC3238662 | biostudies-literature

2,2'-(Propane-1,3-di-yl)bis-(2H-indazole).

Project description:The title mol-ecule, C(17)H(16)N(4), is a bis-indazole crystallized in the rare 2H-tautomeric form. Indazole heterocycles are connected by a propane C(3) chain, and the mol-ecule is placed on a general position, in contrast to the analogous compound with a central C(2) ethane bridge, which was previously found to be placed on an inversion center in the same space group. In the title mol-ecule, indazole rings make a dihedral angle of 60.11?(7)°, and the bridging alkyl chain displays a trans conformation, resulting in a W-shaped mol-ecule. In the crystal, mol-ecules inter-act weakly through ?-? contacts between inversion-related pyrazole rings, with a centroid-centroid separation of 3.746?(2)?Å.

| S-EPMC3213583 | biostudies-literature

catena-Poly[3,3'-diethyl-1,1'-(propane-1,3-di-yl)di(1H-imidazol-3-ium) [silver(I)-di-?-iodido-silver(I)-di-?-iodido]].

Project description:The title compound, {(C(13)H(22)N(4))[Ag(2)I(4)]}(n), was prepared by reaction of 1,3-bis-(N-ethyl-imidazolium-1-yl)propane iodide with silver (I) oxide. In the 3,3'-diethyl-1,1'-(propane-1,3-di-yl)di(1H-imidazol-3-ium) cation, the dihedral angle between the imidazole rings is 49.3?(1)°. In the [Ag(2)I(4)](2-) anion, each Ag(I) atom is bonded to three iodide anions, the two Ag(I) atoms and two of the iodides forming Ag(2)I(2) square-planar (r.m.s. deviation = 0.01?Å) units·The remaining two iodides, which are placed on opposite sides of the square, together with their centrosymmetric counterparts, link the square-planar Ag(2)I(2) units into {[Ag(2)I(4)](2-)}(n) polymeric chains via Ag-I bonds.

| S-EPMC3379117 | biostudies-literature

Di-?-chlorido-bis-{[2-({[2-(2-pyrid-yl)eth-yl](2-pyridylmeth-yl)amino}meth-yl)phenol]zinc(II)} bis-(perchlorate) dihydrate.

Project description:The title compound, [Zn(2)Cl(2)(C(20)H(21)N(3)O)(2)](ClO(4))(2)·2H(2)O, consists of a dinuclear Zn(II) cationic complex, two disordered perchlorate anions and two water mol-ecules as solvate. The [Zn(2)(?-Cl)(2)(HL)(2)](2+ )cation [HL is 2-({[2-(2-pyrid-yl)eth-yl](2-pyridylmeth-yl)amino}meth-yl)phenol] has a centrosymmetric structure with the Zn(II) ions in a distorted octa-hedral environment surrounded by an N(3)OCl(2) donor set. HL acts as a tetra-dentate ligand through three N atoms from one amine group and two pyridyl arms and one O atom from the phenolic arm. The three N-donor sites of the HL ligand are arranged in meridional fashion, with the pyridine rings coordinated in trans positions with respect to each other. Consequently, the amine and phenol groups are trans to the asymmetric di-?-chlorido exogenous bridges. A polymeric chain is formed along [010] by C(12)R(4) (2)(8) inter-molecular hydrogen bonding. The perchlorate anion is disordered and was modelled by two sites in a 0.345?(18):0.655?(18) ratio. Water-perchlorate O-H?O inter-actions form cyclic structures, while phenol-water O-H?O inter-actions generate an infinite chain. In addition, weak inter-molecular C-H??(Ph) inter-actions between pyridine donor and phenol acceptor groups of neighboring cations build a two-dimensional polymeric structure parallel to (110).

| S-EPMC2979697 | biostudies-literature

Crystal structure of zwitterionic 3,3'-[1,1'-(butane-1,4-di-yl)bis-(1<i>H</i>-imidazol-3-ium-3,1-di-yl)]bis-(propane-1-sulfonate) dihydrate.

Project description:The crystal structure of the title compound, C16H26N4O6S2·2H2O, a water-soluble di-N-heterocyclic carbene ligand precursor was determined using a single crystal grown by the slow cooling of a hot N,N-di-methyl-formamide solution of the compound. The dihydrate crystallizes in the monoclinic space group P21/c, with half of the zwitterionic mol-ecule and one water mol-ecule of crystallization in the asymmetric unit. The remaining part of the mol-ecule is completed by inversion symmetry. In the mol-ecule, the imidazole ring planes are parallel with a plane-to-plane distance of 2.741 (2) Å. The supra-molecular network is consolidated by hydrogen bonds of medium strength between the zwitterionic mol-ecules and the water mol-ecules of crystallization, as well as by π-π stacking inter-actions between the imidazole rings of neighbouring mol-ecules and C-H⋯O hydrogen-bonding inter-actions.

| S-EPMC7405557 | biostudies-literature

Chlorido[1,1'-(5-methyl-1,3-phenyl-ene)bis-(3,5-dimethyl-1H-imidazol-2-yl-idene)]platinum(II).

Project description:In the title compound, [Pt(C17H19N4)Cl], the Pt(II) cation is C,C',C''-chelated by the 1,1'-(5-methyl-1,3-phenyl-ene)bis-(3,5-dimethyl-1H-imidazolyl-idene) anion and coordinated by a Cl(-) anion in a distorted square-planar coordination geometry. π-π stacking is observed between nearly parallel imidazole and benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.802 (4) Å.

| S-EPMC3629494 | biostudies-literature

catena-Poly[[chloridocadmium(II)]bis-{μ-1-[(2-ethyl-1H-imidazol-1-yl)meth-yl]-1H-benzotriazole}[chloridocadmium(II)]di-μ-chlorido].

Project description:In the polymeric title complex, [CdCl(2)(C(12)H(13)N(5))](n), the Cd(II) atom is five-coordinated by two N atoms from two bridging 1-[(2-ethyl-1H-imidazol-1-yl)meth-yl]-1H-benzotriazole (bmei) ligands, two bridging Cl atoms and one terminal Cl atom in a distorted trigonal-bipyramidal geometry. The Cd(II) atoms are connected alternately by the Cl atoms and bmei ligands, leading to a zigzag chain extending parallel to [011]. π-π inter-actions, with a centroid-centroid distance of 3.3016 (3) Å, help to stabilize the crystal packing.

| S-EPMC3151992 | biostudies-literature

1,1'-(Propane-1,3-di-yl)bis-(3-phenyl-urea).

Project description:The title compound, C(17)H(20)N(4)O(2), has crystallographic inversion symmetry. In the crystal structure, inter-molecular hydrogen bonding between adjacent urea groups gives rise to infinite polymeric chains diagonally across the bc plane. With a centroid-centroid distance of 3.295?(2)?Å, ?-? stacking is present in the crystal along the same plane.

| S-EPMC3201411 | 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