Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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).

SUBMITTER: Mahbouli Rhouma N

PROVIDER: S-EPMC4992936 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Bis(tetra-methyl-ammonium) tetra-chlorido-zincate(II), phase VI.

Project description:Phase VI of bis-(tetra-methyl-ammonium) tetra-chloro-zincate(II), (C(4)H(12)N)(2)[ZnCl(4)], contains three formula units per asymmetric unit. Several short C-H⋯Cl contacts [2.70 (3) and 2.72 (4) Å] are observed, but they are believed to participate only in van der Waals inter-actions. The crystal studied exhibited inversion twinning.

| S-EPMC2924214 | biostudies-literature

Bis(4-meth-oxy-benzyl-ammonium) dihydrogen diphosphate.

Project description:In the title compound, 2C(8)H(12)NO(+)·H(2)P(2)O(7) (2-), the linked PO(4) groups of the diphosphate anion are almost eclipsed and the P-O-P angle is 134.45?(7)°. In the crystal, infinite ribbons of H(2)P(2)O(7) (2-) anions propagate in [100], being linked by strong O-H?O hydrogen bonds. The 4-meth-oxy-benzyl-ammonium cations bond to the diphosphate chains by N-H?O and C-H?O links, and are themselves linked by C-H?? inter-actions.

| S-EPMC3569749 | biostudies-literature

Bis(2,3-dimethyl-anilinium) tetra-chlorido-zincate dihydrate.

Project description:In the title compound, (C(8)H(12)N)(2)[ZnCl(4)]·2H(2)O, the Zn atom is coordinated by four Cl atoms in a tetra-hedral geometry. The water mol-ecules and the organic cations inter-act with the [ZnCl(4)](2-) complex anions, building up a two-dimensional hydrogen-bonded network parallel to (100).

| S-EPMC3120428 | biostudies-literature

Bis(2,5-dimethyl-anilinium) tetra-chlorido-zincate(II).

Project description:In the title compound, (C(8)H(12)N)(2)[ZnCl(4)], the Zn(2+) ion adopts a distorted tetra-hedral coordination geometry. In the crystal, the cations and anions are linked by N-H⋯Cl hydrogen bonds, leading to ribbons propagating parallel to the a axis.

| S-EPMC2968953 | biostudies-literature

Bis(1,10-phenanthrolin-1-ium) tetra-chlorido-zincate monohydrate.

Project description:In the crystal structure of the title compound, (C12H9N2)2[ZnCl4]·H2O, the two independent 1,10-phenanthrolinium cations are bridged by the water mol-ecule and the tetrahedral tetrachloridozincate anion via N-H⋯O, O-H⋯Cl and N-H⋯Cl hydrogen bonds, forming chains along [100]. The chains are linked via C-H⋯Cl hydrogen bonds and a number of π-π inter-actions [centroid-centroid distances vary from 3.5594 (14) to 3.7057 (13) Å], forming a three-dimensional network. In each 1,10-phenanthrolinium cation, there is a short N-H⋯N inter-action.

| S-EPMC3998259 | biostudies-literature

Bis(triethyl-ammonium) tetra-chlorido-cobaltate(II).

Project description:The crystal structure of the title compound, (C(6)H(16)N)(2)[CoCl(4)], is comprised of a tetrahedral [CoCl(4)](2-) anion and two independent triethyl-ammonium cations. The latter are featureless while the [CoCl(4)](2-) anion exhibits typical Co-Cl bond lengths [2.2428?(15)-2.2847?(16)?Å] and a Cl-Co-Cl angular range of 107.58?(6)-112.73?(7)°. In the crystal, N-H?Cl hydrogen bonds between the two crystallographically independent cations and the [CoCl(4)](2-) anion generate discrete ion triplets. The two Co-Cl bonds involved in these inter-actions are slightly longer than the remaining two.

| S-EPMC3379194 | biostudies-literature

Crystal structure of bis-[trans-(1,4,8,11-tetra-aza-cyclo-tetra-decane-?(4) N)bis-(thio-cyanato-?N)chromium(III)] tetra-chlorido-zincate from synchrotron data.

Project description:The structure of the title compound, [Cr(NCS)2(cyclam)]2[ZnCl4] (cyclam = 1,4,8,11-tetra-aza-cyclo-tetra-decane, C10H24N4), has been determined from synchrotron data. The asymmetric unit contains two independent halves of the Cr(III) complex cations and half of a tetra-chlorido-zincate anion. In each complex cation, the Cr(III) atom is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and by two N-bound NCS(-) anions in a trans axial arrangement, displaying a distorted octa-hedral geometry with crystallographic inversion symmetry. The mean Cr-N(cyclam) and Cr-N(NCS) bond lengths are 2.065?(4) and 1.995?(6)?Å, respectively. The macrocyclic cyclam moieties adopt centrosymmetric trans-III configurations with six- and five-membered chelate rings in chair and gauche configurations, respectively. The [ZnCl4](2-) anion, which lies about a twofold rotation axis, has a slightly distorted tetra-hedral geometry. The crystal packing is stabilized by hydrogen-bonding inter-actions between the N-H groups of the cyclam ligands, the S atoms of the NCS(-) groups and the Cl(-) ligands of the anion.

| S-EPMC4420107 | biostudies-literature

Bis(trimethyl-ammonium) tetra-chlorido-diphenyl-stannate(IV).

Project description:The title compound, [(CH(3))(3)NH](2)[Sn(C(6)H(5))(2)Cl(4)], consists of [(CH(3))(3)NH](+) cations and [SnPh(2)Cl(4)](2-) anions in which the Sn atom, located on a centre of inversion, is bonded to four Cl atoms and two phenyl rings, giving an octa-hedral geometry with the phenyl rings in trans positions. In the crystal, the cations and the anions are connected by N-H⋯Cl hydrogen bonds and C-H⋯Cl inter-actions.

| S-EPMC3051760 | biostudies-literature

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

Project description: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.

| S-EPMC4350760 | biostudies-literature

Crystal structure of the thermochromic bis-(di-ethyl-ammonium) tetra-chlorido-cuprate(II) complex.

Project description:In the structure of the title complex salt, (Et2NH2)2[CuCl4], the asymmetric unit consists of four unique di-ethyl-ammonium cations and three unique tetra-chlorido-cuprate anions. Two of the three anions are located with their copper atoms on independent crystallographic twofold axes, while the remaining tetra-chlorido-cuprate is located at a general position of the ortho-rhom-bic space group P21212. Two of the three Cu atoms adopt a distorted square-planar/disphenoidal geometry and the third Cu atom has a regular square-planar coordination environment. The di-ethyl-ammonium cations form an extensive hydrogen-bonded network through N-H⋯Cl inter-actions with the tetra-chlorido-cuprate anions, resulting in a two-dimensional sheet-like hydrogen-bonded network parallel to the ab direction. The complex was observed to undergo a color shift from deep green at room temperature to pale yellow at temperatures above 328 K.

| S-EPMC4704760 | 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