Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-Benzyl-3-(2-methoxy-phen-yl)imidazolium tetra-fluoro-borate.

ABSTRACT: In the title compound, C(17)H(17)N(2)O(+)·BF(4) (-), the central imidazolium ring makes dihedral angles of 74.58?(9) and 40.10?(6)° with the phenyl and 2-methoxy-phenyl rings, respectively. In the crystal, a strong ?-? inter-action is observed between the imidazolium and 2-methoxy-phenyl rings, with a centroid-centroid distance of 3.5115?(15)?Å. In addition, C-H?F and C-H?O hydrogen bonds and C-H?? inter-actions involving the -phenyl ring are observed.

SUBMITTER: Jiang P

PROVIDER: S-EPMC2970015 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-Benzyl-3-(2-methoxy-phen-yl)imidazolium tetra-fluoro-borate.

Jiang Ping P

Acta crystallographica. Section E, Structure reports online 20090819 Pt 9

In the title compound, C(17)H(17)N(2)O(+)·BF(4) (-), the central imidazolium ring makes dihedral angles of 74.58 (9) and 40.10 (6)° with the phenyl and 2-methoxy-phenyl rings, respectively. In the crystal, a strong π-π inter-action is observed between the imidazolium and 2-methoxy-phenyl rings, with a centroid-centroid distance of 3.5115 (15) Å. In addition, C-H⋯F and C-H⋯O hydrogen bonds and C-H⋯π inter-actions involving the -phenyl ring are observed. ...[more]

PMID: 21577584

Similar Datasets

1-Ethyl-3-(2,4,6-trimethyl-phen-yl)imidazolium tetra-fluoro-borate.

Project description:The title compound, C(14)H(19)N(2) (+)·BF(4) (-), was obtained by reaction of 1-ethyl-3-(2,4,6-trimethyl-phen-yl)imidazolium tetra-fluoro-borate with sodium tetra-fluoro-borate. The imidazole ring makes a dihedral angle of 78.92?(13)° with the benzene ring.

| S-EPMC3007417 | biostudies-literature

Triphenyl[(triphenylphosphoranylidene)amino]phosphonium tetra-kis-(penta-fluoro-phen-yl)borate.

Project description:In the title molecular salt, C36H30NP2(+)·C24BF20(-), the P-N bond lengths in the cation are equal [1.573?(2) and 1.572?(2)?Å], indicating a resonance structure and the P-N-P bond angle is 144.79?(12)°. In the crystal, weak C-H?F interactions link the cations and the anions.

| S-EPMC3588361 | 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

3,3,4,4-Tetra-fluoro-1-[2-(3,3,4,4-tetra-fluoro-pyrrolidin-1-yl)phen-yl]pyrrolidine.

Project description:The asymmetric unit of the title compound, C(14)H(12)F(8)N(2), contains one tetra-fluoro-pyrrolidine system and one half-mol-ecule of benzene; the latter, together with a second heterocyclic unit, are completed by symmetry, with a twofold crystallographic axis crossing through both the middle of the bond between the C atoms bearing the heterocyclic rings and the opposite C-C bonds of the whole benzene mol-ecule. The pyrrolidine ring shows an envelope conformation with the apex at the N atom. The dihedral angle between the least-squares plane of this ring and the benzene ring is 36.9?(5)°. There are intra-molecular C-H?N inter-actions generating S(6) ring motifs. In the crystal structure, the mol-ecules are linked by C-H?F inter-actions, forming chains parallel to [010].

| S-EPMC3200749 | biostudies-literature

2-Fluoro-N-(4-methoxy-phen-yl)benzamide.

Project description:In the title compound, C(14)H(12)FNO(2), the fluoro-benzene and methoxy-benzene rings are inclined at 27.06 (7) and 23.86 (7)°, respectively, to the amide portion of the mol-ecule and at 3.46 (9)° to one another. The meth-oxy substituent lies close to the methoxy-benzene ring plane, with a maximum deviation of 0.152 (3) Å for the methyl C atom. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link mol-ecules into rows along a. Weak C-H⋯O and C-H⋯F inter-actions further stabilize the packing, forming corrugated sheets in the bc plane.

| S-EPMC2969053 | biostudies-literature

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-(4-Fluoro-phen-yl)-5-(4-methoxy-phen-yl)pyrazolidin-3-one.

Project description:In the mol-ecule of the title compound, C(16)H(15)FN(2)O(2), the benzene rings are oriented at a dihedral angle of 88.61 (3)°. The five-membered ring adopts an envelope conformation. Intra-molecular C-H⋯N hydrogen bonds result in the formation of two planar five-membered rings. In the crystal structure, inter-molecular N-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules, forming R(2) (2)(8) and R(2) (2)(18) ring motifs. Weak C-H⋯π inter-actions may further stabilize the structure.

| S-EPMC2968975 | biostudies-literature

Crystal structures of potassium tri-fluorido-(4-meth-oxy-phen-yl)borate and potassium tri-fluorido(4-fluoro-phen-yl)borate.

Project description:The title compounds, K(+)·C7H7BF3O(-), (I), and K(+)·C6H4BF4 (-), (II), are mol-ecular salts containing para-substituted phenyl-tri-fluorido-borate anions. In each compound, the B atom adopts a distorted tetra-hedral BCF3 geometry. Despite their different compositions and space groups, the irregular KF8 coordination polyhedra of the potassium cations in the structures are almost identical. These polyhedra share faces and edges, generating infinite (010) layers in (I) and infinite (001) layers in (II). In (I), adjacent layers are stacked in an AAA… fashion, whereas in (II), they are stacked in an ABAB… sequence.

| S-EPMC4158529 | biostudies-literature

1-Benzyl-3-[3-(naphthalen-2-yl-oxy)prop-yl]imidazolium hexa-fluoro-phosphate.

Project description:In the title salt, C(23)H(23)N(2)O(+)·PF(6) (-), the PF(6) (-) anion is highly disordered (occupancy ratios of 0.35:0.35:0.3, 0.7:0.15:0.15, 0.7:0.3 and 0.35:0.35:0.15:0.15) with the four F atoms in the equatorial plane rotating about the axial F-P-F bond. The mean plane of the imidazole ring makes dihedral angles of 82.44?(17) and 14.39?(16)°, respectively, with the mean planes of the benzene ring and the naphthalene ring system. The crystal structure is stabilized by C-H?F hydrogen bonds. In addition, ?-? [centroid-centroid distances = 3.7271?(19)-3.8895?(17)?Å] and C-H?? inter-actions are observed.

| S-EPMC3213508 | 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