Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Xu J

PROVIDER: S-EPMC3295507 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Xu Jie J Zhao Min-Min MM

Acta crystallographica. Section E, Structure reports online 20120217 Pt 3

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 model ...[more]

PMID: 22412618

Similar Datasets

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

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-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

2-Cyano-anilinium tetra-fluoro-borate.

Project description:In the title compound, C(7)H(7)N(2) (+)·BF(4) (-), the non-H atoms of the cation are almost coplanar (r.m.s. deviation = 0.035?Å). The cations and anions are connected by inter-molecular N-H?F and N-H?N hydrogen bonds, forming a two-dimensional network parallel to (10).

| S-EPMC2970182 | biostudies-literature

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

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

Project description:In the title compound, C(6)H(7)IN(+)·ClO(4) (-)·C(12)H(24)O(6), the proton-ated 4-iodo-anilinium cation inter-acts with the 18-crown-6 through three N-H⋯O hydrogen bonds, forming a rotator-stator-like structure. The cation, anion and 18-crown-6 mol-ecule all have crystallographically imposed mirror symmetry.

| S-EPMC3052035 | biostudies-literature

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

Project description:In the title compound, C(7)H(10)N(+)·ClO(4) (-)·C(12)H(24)O(6), the 4-methyl-anilinium cation inter-acts with an 18-crown-6 mol-ecule forming a rotator-stator-like structure through bifurcated N-H⋯(O,O) hydrogen bonds between the ammonium group of the cation and the O atoms of the crown ether mol-ecule. All three components of the structure possess mirror symmetry. The benzene ring is inclined to the mean plane of the crown ether molecule by 86.84 (8)°.

| S-EPMC3254523 | biostudies-literature

Propane-1,3-diaminium bis-(tetra-fluoro-borate)-18-crown-6 (1/2).

Project description:In the title compound, C(3)H(12)N(2) (2+)·2BF(4) (-)·2C(12)H(24)O(6), the central C atom of the propane-1,3-diammonium cation lies on a crystallographic twofold rotation axis. The terminal NH(3) (+) groups insert into the crown rings through strong N-H?O hydrogen-bonding inter-actions, resulting in the formation of a 1:2 supra-molecular [(C(3)H(12)N(2))·(C(12)H(24)O(6))(2)](2+) complex. The anions are linked to the supra-molecular complexes via weak C-H?F hydrogen bonds. The F atoms of the anion are disordered over two orientations with site occupancies of 0.5.

| S-EPMC3275199 | biostudies-literature

4-Bromo-3-methyl-anilinium perchlorate 18-crown-6 clathrate.

Project description:The reaction of 4-bromo-3-methyl-anilinium perchlorate and 18-crown-6 in methanol solution yielded the title compound, C(7)H(9)BrN(+)·ClO(4) (-)·C(12)H(24)O(6). The protonated 4-bromo-3-methyl-amine unit contains one -NH(3) (+) substituent, resulting in a 1:1 supra-molecular rotator-stator structure, (C(7)H(9)Br-NH(3) (+))(18-crown-6), through three bifurcated N-H⋯(O,O) hydrogen bonds between the ammonium group of the cation and the O atoms of the crown ether mol-ecule.

| S-EPMC3052115 | 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