Browse
Submit Data
Databases
API
Help

Dataset Information

34 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-Butyl-quinine tetra-fluoro-borate.

ABSTRACT: In the title salt (2S,4S,8R)-1-butyl-2-[(R)-(hydr-oxy)(6-methoxy-quinolin-4-yl)meth-yl]-8-vinyl-quinuclidin-1-ium tetra-fluoro-borate, C(24)H(33)N(2)O(2) (+)·BF(4) (-), the butyl substituent at the 1-position is in an equatorial conformation with respect to the unsubstituted six-membered ring and the four butyl C atoms are almost coplanar with the ring N and vinyl C atoms (r.m.s. deviation = 0.046 Å). In the crystal, the cations are linked by O-H⋯N hydrogen bonds. The F atoms of the tetra-fluoro-borate group are disordered over two sets of site with an occupancy raitio of 0.552 (8):0.448 (8).

SUBMITTER: Eltaief S

PROVIDER: S-EPMC2979949 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Cyanomethanaminium tetra-fluoro-borate.

Project description:In the title compound, C(2)H(5)N(2) (+)·BF(4) (-), the cations and anions are connected via inter-molecular N-H⋯F and C-H⋯F hydrogen bonds, forming a three-dimensional network.

| S-EPMC3007585 | biostudies-literature

1-Butyl-3-ethyl-1H-benzimidazol-3-ium tetra-fluoro-borate.

Project description:In the title salt, C(13)H(19)N(2) (+)·BF(4) (-), an ionic liquid, the butyl and ethyl substituents bonded to the N atoms of the imidazole ring [r.m.s. deviation = 0.019?(1)?Å] adopt equatorial positions. The crystal structure exhibits slipped ?-? inter-actions between the imidazole and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.529?(2)?Å]. In the tetra-fluoro-borate anion, the B and F atoms are disordered over two sets of sites with site-occupancy factors of 0.813?(7) and 0.187?(7).

| S-EPMC3470219 | biostudies-other

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

Tetra-pyrazine-platinum(II) bis-(tetra-fluoro-borate) acetonitrile hemisolvate.

Project description:The improved synthesis and characterization of tetra-pyrazine-platinum(II) bis-(tetra-fluoro-borate) acetonitrile hemisolvate, [Pt(C(4)H(4)N(2))(4)](BF(4))(2)·0.5CH(3)CN, is reported. The unit cell contains a half equivalent of an acetonitrile solvent mol-ecule per tetra-pyrazine-platinum(II) ion. The coordination geometry of the Pt(II) ion is almost square-planar, with the Pt atom residing on an inversion center. The BF(4) (-) counter-anion, located at a general position, has an idealized tetra-hedral geometry and an acetonitrile solvent mol-ecule, the methyl group of which is disordered over two equal positions, sits on a twofold rotation axis.

| S-EPMC2959766 | biostudies-literature

Tetra-butyl-ammonium tris-(methyl-sulfanylmeth-yl)phenyl-borate.

Project description:In the title molecular salt, C(16)H(36)N(+)·C(12)H(20)BS(3) (-), three of the four n-butyl chains show a trans conformation, whereas the fourth has the C-C-C-C torsion angle in a gauche conformation [-77.8?(5)°]. In the crystal, mol-ecules are packed in layers parallel to the (101) plane.

| S-EPMC2980150 | 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

Tris(2-benzamido-eth-yl)ammonium tetra-fluoro-borate.

Project description:In the title compound, C(27)H(31)N(4)O(3) (+)·BF(4) (-), the central N atom is protonated. The three arms form a pocket and one amidic O atom accepts an inter-molecular hydrogen bond with the protonated amine. The tetra-fluoro-borate anion is outside the cavity and is hydrogen bonded to one amide N atom. Adjacent organic cations are connected by a pair of N-H⋯O hydrogen bonds, forming a chain.

| S-EPMC3006998 | biostudies-literature

The low-temperature phase of morpholinium tetra-fluoro-borate.

Project description:The crystal structure of the low-temperature form of the title compound, C(4)H(10)NO(+)·BF(4) (-), was determined at 80 K. Two reversible phase transitions, at 158/158 and 124/126 K (heating/cooling), were detected by differential scanning calorimetry for this compound, and the sequence of phase transitions was subsequently confirmed by single-crystal X-ray diffraction experiments. The asymmetric unit at 80 K consists of three BF(4) (-) tetra-hedral anions and three morpholinium cations (Z' = 3). Hydrogen-bonded morpholinium cations form chains along the [100] direction. The BF(4) (-) anions are connected to these chains by N-H⋯F hydrogen bonds. In the crystal structure, two different layers perpendicular to the [001] direction can be distinguished, which differ in the geometry of the hydrogen bonds between cationic and anionic species.

| S-EPMC2961037 | 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

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-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