Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of 2,2'-bi-pyridine-1,1'-diium tetra-chlorido-zincate.

ABSTRACT: In the crystal structure of the title salt, (C10H10N2)[ZnCl4], the bi-pyridine-diium dication is not planar, with a dihedral angle of 37.21?(9)° between the planes of the two pyridine rings. In the crystal, the slightly distorted [ZnCl4](2-) anions are packed into rods parallel to [001], with the organic cations arranged in corrugated layers parallel to (100). Cations and anions are linked through N-H?Cl hydrogen bonds, forming chains parallel to [20-1]. Additional C-H?Cl inter-actions consolidate the crystal packing.

SUBMITTER: Govindaraj J

PROVIDER: S-EPMC4350760 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of 2,2'-bi-pyridine-1,1'-diium tetra-chlorido-zincate.

Govindaraj Jeyaraman J Thirumurugan Subramani S Clara Antoni Samy AS Anbalagan Krishnamoorthy K SubbiahPandi Arunachalathevar A

Acta crystallographica. Section E, Crystallographic communications 20150221 Pt 3

In the crystal structure of the title salt, (C10H10N2)[ZnCl4], the bi-pyridine-diium dication is not planar, with a dihedral angle of 37.21 (9)° between the planes of the two pyridine rings. In the crystal, the slightly distorted [ZnCl4](2-) anions are packed into rods parallel to [001], with the organic cations arranged in corrugated layers parallel to (100). Cations and anions are linked through N-H⋯Cl hydrogen bonds, forming chains parallel to [20-1]. Additional C-H⋯Cl inter-actions consolida ...[more]

PMID: 25844212

Similar Datasets

Crystal structure of cis-aqua-bis-(2,2'-bi-pyridine-κ(2) N,N')chlorido-chromium(III) tetra-chlorido-zincate determined from synchrotron data.

Project description:The structure of the title salt, [CrCl(C10H8N2)2(H2O)][ZnCl4], has been determined from synchrotron data. The Cr(III) ion is coordinated by four N atoms from two 2,2'-bi-pyridine (bipy) ligands, one O atom from a water mol-ecule and a chloride anion in a cis arrangement, displaying a distorted octa-hedral geometry. The tetra-hedral [ZnCl4](2-) anion is slightly distorted owing to its involvement in O-H⋯Cl hydrogen bonding with the coordinating water mol-ecule. The Cr-N(bipy) bond lengths are in the range 2.0485 (13)-2.0632 (12) Å, while the Cr-Cl and Cr-(OH2) bond lengths are 2.2732 (6) and 1.9876 (12) Å, respectively. In the crystal, mol-ecules are stacked along the a axis.

| S-EPMC4778834 | biostudies-literature

2,2'-Diamino-5,5'-dimethyl-4,4'-bi-1,3-thia-zolium tetra-chlorido-zincate(II).

Project description:In the dianion of the title compound, (C(8)H(12)N(4)S(2))[ZnCl(4)], the Zn(II) ion is in a slightly distorted tetra-hedral environment. In the cation, the mean planes of the thia-zole rings form a dihedral angle of 67.81?(6)?Å. In the crystal structure, anions and cations are linked into a three-dimensional network via inter-molecular N-H?Cl hydrogen bonds.

| S-EPMC2971375 | biostudies-literature

(2R,2'S)-2,2'-Bi-piperidine-1,1'-diium dibromide.

Project description:The title compound, C10H22N2 (2+)·2Br(-), was synthesized via reduction of 2,2'-dipyridyl with Ni-Al alloy/KOH, followed by separation of diastereoisomers (meso and rac) by recrystallization from ethanol. Although the two bridging C atoms are optically active, these two chiral centers adopt an (S,R) configuration; thus, the title compound contains an achiral meso form of 2,2'-bi-piperidine. Both of the piperidinium rings adopt chair conformations, and the two N atoms are trans to each other; an inversion center is located in the mid-point of the central C-C bond. The conformation of the organic moiety resembles that of 1,1'-bi(cyclo-hexa-ne). The organic di-ammonium cations are linked to each other through hydrogen bonding with bromide counter-ions, each of which forms two hydrogen bonds (N-H?Br) with two adjacent organic cations, thus linking the latter together in sheets parallel to (100).

| S-EPMC3884359 | biostudies-literature

Crystal structure of [tris-(4,4'-bi-pyridine)]-diium bis-(1,1,3,3-tetra-cyano-2-eth-oxy-propenide) trihydrate.

Project description:The title hydrated salt, C30H26N62+·2C9H5N4O-·3H2O, was obtained as an unexpected product from the hydro-thermal reaction between potassium 1,1,3,3-tetra-cyano-2-eth-oxy-propenide, 4,4'-bi-pyridine and iron(II) sulfate hepta-hydrate. The cation lies across a twofold rotation axis in the space group I2/a with the other components all in general positions. In the cation, the H atom linking the pyridine units is disordered over two adjacent sites having occupancies of 0.66 (4) and 0.36 (4), i.e. as N-H⋯N and N⋯H-N. The water mol-ecules of crystallization are each disordered over two sets of atomic sites, having occupancies of 0.522 (6) and 0.478 (6) for one, and 0.34 (3) and 0.16 (3) for the other, and it was not possible to reliably locate the H atoms associated with these partial-occupancy sites. In the crystal, four independent C-H⋯N hydrogen bonds link the ionic components into a three-dimensional network.

| S-EPMC5120698 | biostudies-literature

Crystal structure of catena-poly[[chlorido-(4,4'-dimethyl-2,2'-bi-pyridine-κ(2) N,N')copper(II)]-μ-chlorido].

Project description:The title compound, [CuCl2(C12H12N2)] n , was obtained via a DMSO-mediated dehydration of Cu(4,4'-dimethyl-2,2'-bi-pyridine)-copper(II)·0.25H2O. The central Cu(II) atom is coordinated in a distorted trigonal-bipyramidal geometry by two N atoms of a chelating 4,4'-dimethyl-2,2'-bi-pyridine ligand [average Cu-N = 2.03 (3) Å] and three Cl atoms, one terminal with a short Cu-Cl bond of 2.2506 (10) Å, and two symmetry-equivalent and bridging bonds. The bridging Cl atom links the Cu(II) ions into chains parallel to [001] via one medium and one long Cu-Cl bond [2.3320 (10) and 2.5623 (9) Å]. The structure displays both inter- and intra-molecular C-H⋯Cl hydrogen bonding.

| S-EPMC4459376 | biostudies-literature

Crystal structure of <i>meso</i>-di-μ-chlorido-bis-[bis-(2,2'-bi-pyridine)-cadmium] bis-(1,1,3,3-tetra-cyano-2-ethoxy-propenide) 0.81-hydrate.

Project description:The hydrated title salt, [Cd2Cl2(C10H8N2)4](C9H5N4O)2·0.81H2O, was obtained from the hydro-thermal reaction between 2,2'-bi-pyridine, cadmium(II) chloride and potassium 1,1,3,3-tetra-cyano-2-eth-oxy-propenide. The binuclear cation lies across a centre of inversion in the space group P21/c, with the other components in general positions. The cation has approximate, but non-crystallographic 2/m symmetry and each of the CdII atoms is a stereogenic centre, one having the Δ configuration and the other the Λ configuration. In the anion, one of the C(CN)2 units is disordered over two sets of atomic sites having occupancies 0.75 (2) and 0.25 (2). The cations are linked by two independent C-H⋯Cl hydrogen bonds to form a sheet of R22(14) and R42(24) rings.

| S-EPMC5209770 | biostudies-literature

Crystal structure of 4,4'-dimeth-oxy-2,2'-bi-pyridine.

Project description:In the title compound, C12H12N2O2, the dihedral angle between the planes of the two pyridine rings is 5.8 (1)°. Neighbouring mol-ecules are linked via C(Me)-H⋯N inter-actions, generating a two-dimensional sheet structure; C-H⋯π inter-actions further link the mol-ecules into a three-dimensional network. An overlapped arrangement of parallel pyridine rings in neighbouring mol-ecules [centroid-to-centroid distance = 3.6655 (15) Å] is observed in the crystal structure.

| S-EPMC4571430 | biostudies-literature

Crystal structures of fac-tri-carbonyl-chlorido-(6,6'-dihy-droxy-2,2'-bi-pyridine)-rhenium(I) tetra-hydro-furan monosolvate and fac-bromido-tricarbon-yl(6,6'-dihy-droxy-2,2'-bi-pyridine)-manganese(I) tetra-hydro-furan monosolvate.

Project description:The structures of two facially coordinated Group VII metal complexes, fac-[ReCl(C10H8N2O2)(CO)3]·C4H8O (I·THF) and fac-[MnBr(C10H8N2O2)(CO)3]·C4H8O (II·THF), are reported. In both complexes, the metal ion is coordinated by three carbonyl ligands, a halide ligand, and a 6,6'-dihy-droxy-2,2'-bi-pyridine ligand in a distorted octa-hedral geometry. Both complexes co-crystallize with a non-coordinating tetra-hydro-furan (THF) solvent mol-ecule and exhibit inter-molecular but not intra-molecular hydrogen bonding. In both crystal structures, chains of complexes are formed due to inter-molecular hydrogen bonding between a hy-droxy group from the 6,6'-dihy-droxy-2,2'-bi-pyridine ligand and the halide ligand from a neighboring complex. The THF mol-ecule is hydrogen bonded to the remaining hy-droxy group.

| S-EPMC4971873 | biostudies-literature

Crystal structure of non-centrosymmetric bis-(4-meth-oxy-benzyl-ammonium) tetra-chlorido-zincate.

Project description:The structure of the title non-centrosymmetric organic-inorganic hybrid salt, (C8H12NO)2[ZnCl4], consists of two 4-meth-oxy-benzyl-ammonium cations sandwiched between anionic layers, formed by isolated tetra-chlorido-zincate tetra-hedra. The double layers extend parallel to the ac plane. The crystal packing is assured by Coulombic inter-actions and by a complex N-H⋯Cl and C-H⋯Cl hydrogen-bonding system mostly involving the positively charged ammonium groups and the chloride ligands of the isolated tetra-hedral [ZnCl4](2-) units. One of the methyl-ene-ammonium groups is disordered over two sets of sites in a 0.48 (2):0.52 (2) ratio. The crystal investigated was twinned by non-merohedry with a twin component ratio of 0.738 (2):0.262 (2).

| S-EPMC4992936 | biostudies-literature

Crystal structure, thermal and fluorescence properties of 2,2':6',2''-terpyridine-1,1',1''-triium tetra-chlorido-nickelate(II) chloride.

Project description:The title compound, (C15H14N3)[NiCl4]Cl, comprises an NiII cation tetra-hedrally coordinated by four chloride anions, a non-coordinating chloride anion and an essentially planar terpyridinium trication (tpyH33+), in which the central pyridinium ring forms dihedral angles of 5.7?(2) and 6.0?(2)° with the peripheral pyridinium rings. Three inter-species N-H?Cl hydrogen bonds are formed with the Cl- anion, which also forms a link between the (tpyH33+) cations through an aromatic C-H?Cl inter-action, forming a zigzag chain extending along the 21 (b) screw axis. Two of the anionic Cl atoms of the [NiCl4]2- anions form Ni-Cl?? inter-actions with separate pyridinium rings [Ni?Cg = 3.669?(3) and 3.916?(4)?Å]. In the crystal, successive undulating inorganic and organic layers are formed, extending across the (100) plane. Thermogravimetric and differential thermal analysis (TGA/DTA) indicate that the compound starts to decompose at 313?K and may be a candidate for use as a blue-light luminescent material.

| S-EPMC5730256 | 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