Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dimethyl-ammonium tetra-chloridoferrate(III) 18-crown-6 clathrate.

ABSTRACT: The reaction of dimethyl-amine hydro-chloride, 18-crown-6 and ferric chloride in ethanol yields the title compound, (C(2)H(8)N)[FeCl(4)]·C(12)H(24)O(6), which exhibits an unusual supramolecular structure. The protonated dimethyl-amine contains one NH(2) (+) group, resulting in a 1:1 supra-molecular rotator-stator structure (CH(3)-NH(2) (+)-CH(3))(18-crown-6), through N-H?O hydrogen-bonding inter-actions between the ammonium group of the cation and the O atoms of the crown ether. In the crystal, all three components lie on a common crystallographic mirror plane normal to [010].

SUBMITTER: Shi PP

PROVIDER: S-EPMC3007045 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Dimethyl-ammonium tetra-chloridoferrate(III) 18-crown-6 clathrate.

Shi Ping Ping PP Zhao Min Min MM

Acta crystallographica. Section E, Structure reports online 20100605 Pt 7

The reaction of dimethyl-amine hydro-chloride, 18-crown-6 and ferric chloride in ethanol yields the title compound, (C(2)H(8)N)[FeCl(4)]·C(12)H(24)O(6), which exhibits an unusual supramolecular structure. The protonated dimethyl-amine contains one NH(2) (+) group, resulting in a 1:1 supra-molecular rotator-stator structure (CH(3)-NH(2) (+)-CH(3))(18-crown-6), through N-H⋯O hydrogen-bonding inter-actions between the ammonium group of the cation and the O atoms of the crown ether. In the crystal, ...[more]

PMID: 21587672

Similar Datasets

4-Fluoro-anilinium tetra-chloridoferrate(III) 18-crown-6 clathrate.

Project description:The reaction of 4-fluoro-aniline hydro-chloride, 18-crown-6 and ferric chloride in methano-lic solution yields the title compound, (C(6)H(7)FN)[FeCl(4)]·C(12)H(24)O(6), which has an unusual supramolecular structure. N-H⋯O hydrogen-bonding inter-actions between the NH(3) (+) substituents of the 4-fluoro-anilinium cations and the O atoms of the crown ether mol-ecules result in a rotator-stator-like structure.

| S-EPMC3006967 | biostudies-literature

Dimethyl-ammonium perchlorate 18-crown-6 monohydrate clathrate.

Project description:The reaction of dimethyl-amine, 18-crown-6, and perchloric acid in methanol yields the title compound, C(2)H(8)N(+)·ClO(4) (-)·C(12)H(24)O(6)·H(2)O. The dimethyl-ammonium cation and the water mol-ecule inter-act with the 18-crown-6 unit: N-H⋯O hydrogen bonds are formed between the ammonium NH(2) (+) group and four O atoms of the crown ether, while the water mol-ecule on the other side of 18-crown-6 ring forms O-H⋯O hydrogen bonds with two other O atoms of the crown ether. All conventional donors and acceptors in the cations are thus engaged in hydrogen bonding. The ClO(4) (-) anion is disordered over two sites, and occupancies for the disordered O atoms were fixed at 0.5. In the crystal, the cations and anions are arranged in alternating layers.

| S-EPMC3006918 | biostudies-literature

Methyl-ammonium tetra-fluoridoborate 18-crown-6 clathrate.

Project description:In the title compound, CH(3)NH(3) (+)·BF(4) (-)·C(12)H(24)O(6), the methyl-ammonium cation makes three N-H?O hydrogen bonds to the 18-crown-6 mol-ecule. The -NH(3) (+) and -CH(3) groups of the cation adopt a staggered conformation. The F atoms of the tetra-fluoridoborate anion are disordered over two sets of sites in a 0.519?(11):0.481?(11) ratio. Weak C-H?F inter-actions occur in the crystal, which possibly correlate with the anion disorder.

| S-EPMC3254558 | biostudies-literature

Benzyl-ammonium tetra-fluoro-borate 18-crown-6 clathrate.

Project description:The reaction of benzyl-ammonium tetra-fluoro-borate and 18-crown-6 in a methano-lic solution yields the title compound, C(7)H(10)N(+)·BF(4) (-)·C(12)H(24)O(6)O6, which displays a supra-molecular structure. The -NH(3) (+) substituent of the benzyl-ammonium cation forms a 1:1 supra-molecular rotator-stator structure by N-H⋯O hydrogen-bonding inter-actions.

| S-EPMC3007038 | biostudies-literature

4-Methyl-anilinium tetra-fluoro-borate 18-crown-6 clathrate.

Project description:In the title compound, C(7)H(10)N(+)·BF(4) (-)·C(12)H(24)O(6), the proton-ated 4-methyl-anilinium cation inter-acts with 18-crown-6 forming a rotator-stator structure, (C(6)H(4)CH(3)NH(3) (+))(18-crown-6), through three bifurcated N-H?(O,O) hydrogen bonds between the ammonium groups of the cations (-NH(3)) and the O atoms of the crown ether mol-ecule. The BF(4) (-) anions, the methyl group and the protonated -NH(3) groups of the 4-methylanilinium lie on a dual axis of rotation. The 18-crown-6 unit is perpendicular to the dual axis of rotation and the mirror plane which contains the dual axis of rotation. The benzene ring of 4-methylanilinium is perpendicular to the mirror plane and parallel to the dual axis.

| S-EPMC2979430 | biostudies-literature

1,3-Dimethyl-1H-1,2,3-benzotriazol-3-ium tetra-chloridoferrate(III).

Project description:The asymmetric unit of the title salt, (C8H10N3)[FeCl4], contains one 1,3-dimethyl-1H-1,2,3-benzotriazol-3-ium cation and one tetra-chloridoferrate anion. The Fe(III) atom in the anion is tetra-hedrally coordinated by four Cl atoms. In the crystal, inter-actions are observed between the Cl atoms and the triazolium ring [Cl?centroid distances = 3.587?(3) and 3.866?(3)?Å].

| S-EPMC3588415 | biostudies-literature

4-Chloro-anilinium tetra-fluoro-borate 18-crown-6 clathrate.

Project description:In the title compound, C(6)H(7)ClN(+)·BF(4) (-)·C(12)H(24)O(6), the complete cation is generated by crystallographic mirror symmetry, with two C atoms and the N and Cl atoms lying on the mirror plane. The complete crown ether is also generated by mirror symmetry, as is the anion (in which the B and two F atoms lie on the mirror plane). The -NH(3) (+) group of the cation inserts into the crown-ether ring and forms bifurcated N-H?(O,O) hydrogen bonds. The H atoms of the -NH(3) (+) group were modelled as disordered across the mirror plane.

| S-EPMC3295507 | biostudies-other

4-(Dimethyl-amino)-pyridinium tetra-chloridoferrate(III).

Project description:The title salt, (C7H11N2)[FeCl4], consists of one essentially planar (the r.m.s. deviation for all non-H atoms being 0.004?Å) 4-(dimethyl-amino)-pyridinium cation and a tetra-hedral tetra-chloridoferrate(III) anion. The cations and anions are arranged in layers parallel to (010). Besides electrostatic inter-actions, the crystal packing features N-H?Cl and C-H?Cl hydrogen bonds between cations and anions, forming a three-dimensional network.

| S-EPMC3629474 | biostudies-other

4-Bromo-anilinium perchlorate 18-crown-6 clathrate.

Project description:The reaction of 4-bromo-aniline, 18-crown-6, and perchloric acid in methanol yields the title compound, C(6)H(7)BrN(+)·ClO(4) (-)·C(12)H(24)O(6), in which the protonated -NH(3) (+) group forms three bifurcated N-H?O hydrogen bonds to the O atoms of the crown ether.

| S-EPMC3009328 | biostudies-literature

2,4,5-Trichloro-anilinium perchlorate 18-crown-6 clathrate.

Project description:In the title compound, C(6)H(5)Cl(3)N(+)·ClO(4) (-)·C(12)H(24)O(6), the perchlorate anion is disordered over two orientations in a 0.666?(17):0.334?(17) ratio. The ammonium group of the organic cation inserts into the crown ether ring and forms three bifurcated N-H?(O,O) hydrogen bonds to generate a supra-molecular complex. The macrocycle has approximate D(3d) local symmetry.

| S-EPMC3295508 | 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