Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(2-Ureidoeth-yl)quinolinium tetra-phenyl-borate.

ABSTRACT: In the cation of the title salt, C(12)H(14)N(3)O(+)·C(24)H(20)B(-), the dihedral angle between the quinoline ring and the mean plane of the urea fragment is 61.51?(5)°. In the crystal, the cations inter-act through weak C-H?O hydrogen bonding, forming a zigzag chain along the c-axis direction; the cations and anions are involved in weak inter-molecular C-H?? and N-H?? inter-actions as donors and acceptors, respectively.

SUBMITTER: Dong ZY

PROVIDER: S-EPMC3213480 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-(2-Ureidoeth-yl)quinolinium tetra-phenyl-borate.

Dong Zhi-Yun ZY Yang Yu Y Gao Guo-Hua GH

Acta crystallographica. Section E, Structure reports online 20110713 Pt 8

In the cation of the title salt, C(12)H(14)N(3)O(+)·C(24)H(20)B(-), the dihedral angle between the quinoline ring and the mean plane of the urea fragment is 61.51 (5)°. In the crystal, the cations inter-act through weak C-H⋯O hydrogen bonding, forming a zigzag chain along the c-axis direction; the cations and anions are involved in weak inter-molecular C-H⋯π and N-H⋯π inter-actions as donors and acceptors, respectively. ...[more]

PMID: 22091059

Similar Datasets

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

[3-(Iodo-acetamido)prop-yl]triphenyl-phospho-nium tetra-phenyl-borate.

Project description:The title compound, C(23)H(24)INOP(+)·C(24)H(20)B(-), was prepared by treatment of 3-amino-propyl triphenyl-phospho-nium bromide hydrogen bromide with p-nitro-phenyl iodo-acetate at 203?K. The asymmetric unit contains a single cation and anion, which are linked in the crystal by inter-molecular N-H?? and inversion-related R(2) (2)(14) C-H?O inter-actions, which combine to form chains of cations and anions along the c axis.

| S-EPMC2979758 | biostudies-literature

(?-Benzophenone)(?-penta-methyl-cyclo-penta-dien-yl)ruthenium(II) tetra-phenyl-borate.

Project description:The structure of the title compound, [Ru(C(10)H(15))(C(13)H(10)O)](C(24)H(20)B), consists of discrete [Cp*Ru(II)benzophenone] cations and tetra-phenyl-borate anions (Cp* = penta-methyl-cyclo-penta-dien-yl). Tethering the Cp*Ru group to one aryl ring of benzophenone results in average values of 1.42?(1) and 1.38?(1)?Å for the C-C bond lengths in the Ru-tethered and untethered phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings of the benzophenone group is 50.5?(1)°.

| S-EPMC2971317 | biostudies-literature

(?-Penta-methyl-cyclo-penta-dien-yl)(?-4-phenyl-butan-2-one)ruthenium(II) tetra-phenyl-borate.

Project description:The title compound, [Ru(C(10)H(15))(C(10)H(12)O)][B(C(6)H(5))(4)], crystallizes as discrete (?(5)-penta-methyl-cyclo-penta-dien-yl)Ru(?(6)-4-phenyl-butan-2-one)](+) cations and [BPh(4)](-) anions. In the cation, the non-H atoms of the butan-2-one group are approximately planar (r.m.s. deviation = 0.056?Å) and lie nearly perpendicular to the plane of the phenyl ring with a dihedral angle between the two planes of 69.3?(1)°. No significant C-H?O inter-actions are observed between the methyl and phenyl H atoms and the carbonyl O atom.

| S-EPMC3011665 | biostudies-literature

1,3-Bis(2,6-diisopropyl-phen-yl)imidazolidinium tetra-phenyl-borate dichloro-methane disolvate.

Project description:The title compound, C(27)H(39)N(2) (+)·C(24)H(20)B(-)·2CH(2)Cl(2), is the first reported imidazolidinium cation with the sterically demanding 2,6-diisopropyl-phenyl groups in the 1,3-positions. The crystal structure is stabilized by weak inter-molecular C-H??(arene) inter-actions. Due to the bulky nature of both the flanking 2,6-diisopropyl-phenyl substituents and the tetra-phenyl-borate counter-ion, anion inter-actions with the imidazolidinium H atom in the 2-position are not observed, also a first for this class of ortho-alkyl-substituted Arduengo-type carbene precursors.

| S-EPMC3007462 | biostudies-literature

N-[3-(Benzyl-dimethyl-aza-nium-yl)prop-yl]-N',N',N'',N''-tetra-methyl-guanidinium bis-(tetra-phenyl-borate).

Project description:In the crystal structure of the title salt, C17H32N4 (2+)·2C24H20B(-), the C-N bond lengths in the CN3 unit of the guanidinium ion are 1.323 (4), 1.336 (5) and 1.337 (5) Å, indicating partial double-bond character in each. The C atom of this unit is bonded to the three N atoms in a nearly ideal trigonal-planar geometry [N-C-N angles = 117.7 (4), 120.9 (3) and 121.4 (3)°] and the positive charge is delocalized in the CN3 plane. The bonds between the N atoms and the terminal C-methyl groups of the guanidinium moiety all have values close to a typical single bond [1.452 (5)-1.484 (6) Å]. In the crystal, C-H⋯π inter-actions are present between guanidinium H atoms and the phenyl rings of both tetra-phenyl-borate ions. This leads to the formation of a two-dimensional supramolecular pattern along the ab plane.

| S-EPMC3685056 | biostudies-literature

Bis{2-[(4-bromo-phen-yl)imino-meth-yl]pyridine-κN,N'}copper(I) tetra-phenyl-borate.

Project description:In the crystal structure of the title compound, [Cu(C(12)H(9)BrN(2))(2)](C(24)H(20)B), the copper(I) cation is coordinated by four N atoms of two crystallographically independent 2-[(4-bromo-phen-yl)imino-meth-yl]pyridine ligands within a distorted tetra-hedron.

| S-EPMC2961942 | biostudies-literature

N,N,N',N'-Tetra-methyl-guanidinium tetra-phenyl-borate.

Project description:In the title salt, C5H14N3(+)·C24H20B(-), the C-N bond lengths in the central CN3 unit are 1.3322 (11), 1.3385 (12) and 1.3422 (12) Å, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal-planar geometry [N-C-N angles = 119.51 (8), 119.81 (9) and 120.69 (8)°] and the positive charge is delocalized in the CN3 plane. The bond lengths between the N atoms and the terminal methyl groups all have values close to a typical single bond [1.4597 (12)-1.4695 (13) Å]. The crystal packing is caused by electrostatic inter-actions between cations and anions.

| S-EPMC3589071 | biostudies-literature

N-(Diphenyl-carbamo-yl)-N,N',N',N'',N''-penta-methyl-guanidinium tetra-phenyl-borate.

Project description:In the title salt, C19H25N4O(+)·C24H20B(-), the C=N and C-N bond lengths in the CN3 unit are 1.3327?(8)/1.3364?(9) and 1.3802?(9)?Å, indicating double- and single-bond character, respectively. The N-C-N angles are 118.77?(6), 120.29?(6) and 120.81?(6)°, showing only a small deviation of the CN3 plane from an ideal trigonal-planar geometry. The bonds between the N atoms and the terminal methyl C atoms all have values close to a typical single bond [1.4636?(9)-1.4772?(9)?Å]. The crystal packing is caused by electrostatic inter-actions between cations and anions.

| S-EPMC3588347 | biostudies-literature

4-{(E)-2-[4-(Diethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridin-1-ium tetra-phenyl-borate.

Project description:In the cation of the title salt, C(18)H(23)N(2) (+)·C(24)H(20)B(-), the pyridine ring forms a dihedral angle of 14.23?(6)° with the benzene ring. One of the ethyl groups of the cation was refined as disordered over two sets of sites with equal occupancies.

| S-EPMC3435715 | 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