Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dimeth-yl(3-oxo-3-phenyl-prop-yl)aza-nium tetra-chloridoferrate(III).

ABSTRACT: In the title mol-ecular salt, (C(11)H(16)NO)[FeCl(4)], an intra-molecular N-H?O hydrogen bond in the cation generates an S(6) loop and the conformation of the C(=O)-C-C-N chain is gauche [torsion angle = 57.0?(6)°]. The anion is a near-regular tetra-hedron [range of Cl-Fe-Cl angles = 107.93?(8)-112.13?(10)°]. There are no directional inter-ionic bonds in the crystal.

SUBMITTER: Jin L

PROVIDER: S-EPMC3344424 | biostudies-other | 2012 May

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Dimeth-yl(3-oxo-3-phenyl-prop-yl)aza-nium tetra-chloridoferrate(III).

Jin Lei L

Acta crystallographica. Section E, Structure reports online 20120428 Pt 5

In the title mol-ecular salt, (C(11)H(16)NO)[FeCl(4)], an intra-molecular N-H⋯O hydrogen bond in the cation generates an S(6) loop and the conformation of the C(=O)-C-C-N chain is gauche [torsion angle = 57.0 (6)°]. The anion is a near-regular tetra-hedron [range of Cl-Fe-Cl angles = 107.93 (8)-112.13 (10)°]. There are no directional inter-ionic bonds in the crystal. ...[more]

PMID: 22590186

Similar Datasets

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?? 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

[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

Crystal structure of N''-benzyl-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, C24H38N4 (2+)·2C24H20B(-), the C-N bond lengths in the central CN3 unit of the guanidinium ion are 1.3364 (13), 1.3407 (13) and 1.3539 (13) Å, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal-planar geometry and the positive charge is delocalized in the CN3 plane. The bonds between the N atoms and the terminal methyl groups of the guanidinium moiety and the four C-N bonds to the central N atom of the (benzyl-dimethyl-aza-nium-yl)propyl group have single-bond character. In the crystal, C-H⋯π inter-actions between the guanidin-ium H atoms and the phenyl C atoms of the tetra-phenyl-borate ions are present, leading to the formation of a two-dimensional supra-molecular pattern parallel to the ac plane.

| S-EPMC4719992 | biostudies-literature

N,N,N',N'-Tetra-methyl-N''-[3-(trimethyl-aza-nium-yl)prop-yl]guanidinium bis-(tetra-phenyl-borate) acetone disolvate.

Project description:In the title solvated salt, C11H28N4(2+)·2C24H20B(-)·2C3H6O, the C-N bond lengths in the central CN3 unit of the guanidinium ion are 1.3331?(16), 1.3407?(16) and 1.3454?(16)?Å, indicating partial double-bond character in each. The central C atom is bonded to the three N atoms in a nearly ideal trigonal-planar geometry [N-C-N angles = 118.96?(11), 120.51?(12) and 120.53?(11)°] 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 [1.4601?(16)-1.4649?(16)?Å]. In the crystal, the guanidinium ion is connected by N-H?O and C-H?O hydrogen bonds with the acetone mol-ecules. C-H?? inter-actions are present between the guanidinium H atoms and the phenyl rings of both tetra-phenyl-borate ions. The phenyl rings form aromatic pockets, in which the guanidinium ions are embedded.

| S-EPMC3588446 | biostudies-other

2,5-Bis[2-({bis-[3-(dimethyl-aza-nium-yl)prop-yl]aza-nium-yl}meth-yl)phen-yl]-1,3,4-oxadiazole hexa-kis-(perchlorate) sesquihydrate.

Project description:In the title hydrated salt, C36H66N8O(6+)·6ClO4(-)·1.5H2O, the asymmetric unit consists of a hexa-protonated [H6L](6+) cation, five perchlorate anions in general positions, two on twofold rotation axes (one of which is disordered), and two water mol-ecules of crystallization in general positions, one of them disordered around a twofold crystallographic axis. In the [H6L](6+) cation, two strong intra-molecular N-H?N hydrogen bonds occur, involving the N atoms of the oxadiazole ring as acceptors and the closest NH(+) groups of each dipropyl-enetriamine unit. In the crystal, the [H6L](6+) cations form channels along the a-axis direction, in which the perchlorate counter-ions and the water mol-ecules are lodged. The crystal packing features a network of N-H?O and O-H?O hydrogen bonds involving the NH(+) groups of the [H6L](6+) cation, the perchlorate anions and the water mol-ecules.

| S-EPMC3589030 | biostudies-literature

1,3-Bis(1-adamant-yl)imidazolium tetra-chloridoferrate(III).

Project description:The crystal structure of the title compound, (C(23)H(33)N(2))[FeCl(4)], consists of 1,3-bis-(1-adamant-yl)imidazolium (BAIM) cations and tetra-hedral tetra-chloridoferrate(III) (TCF) anions. The BAIM cation possesses m symmetry, with the central imidazole ring and four C atoms of each terminal adamantyl group located on a mirror plane. The Fe and two Cl atoms of the TCF anion are also located on the mirror plane. The cyclo-hexane rings of the adamantyl groups adopt normal chair conformations.

| S-EPMC3009177 | biostudies-literature

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

Project description:In the crystal structure of the title salt, C(12)H(30)N(4) (2+)·2C(24)H(20)B(-), the C-N bond lengths in the central CN(3) unit of the guanidinium ion are 1.3388?(17), 1.3390?(16) and 1.3540?(17)?Å, indicating partial double-bond character in each. The central C atom is bonded to the three N atoms in a nearly ideal trigonal-planar geometry and the positive charge is delocalized in the CN(3) 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 [1.4630?(16)-1.4697?(17)?Å]. C-H?? inter-actions are present between the guanidinium H atoms and the phenyl C atoms of one tetra-phenyl-borate ion. The phenyl rings form a kind of aromatic pocket, in which the guanidinium ion is embedded.

| S-EPMC3569815 | biostudies-other

(R)-(+)-Dimeth-yl[4-oxido-2-oxo-1-(1-phenyl-eth-yl)-1,2,5,6-tetra-hydro-pyridin-3-yl]sulfonium.

Project description:In the title zwitterionic compound, C(15)H(19)NO(2)S, the six-membered heterocycle adopts a sofa conformation. The negative charge is delocalized along the carbonyl and enolate system on the ring and the positive charge is localized on the S atom. Two inter-molecular C-H?O inter-actions help to establish the packing.

| S-EPMC3051604 | biostudies-literature

Dimeth-yl(2-oxo-2-phenyl-eth-yl)sulfanium bromide.

Project description:Single crystals of the title compound, C(10)H(13)OS(+)·Br(-), were obtained from ethyl acetate/ethyl ether after reaction of acetophenone with hydro-bromic acid and dimethyl-sulfoxide. The carbonyl group is almost coplanar with the neighbouring phenyl ring [O-C-C-C = 178.9?(2)°]. The sulfanium group shows a trigonal-pyramidal geometry at the S atom. The crystal structure is stabil-ized by C-H?Br hydrogen-bonding inter-actions. Weak ?-? inter-actions link adjacent phenyl rings [centroid-centroid distance = 3.946?(2)?Å].

| S-EPMC3011718 | biostudies-literature

(Ethane-1,2-di-yl)bis-[bis-(3-methoxy-prop-yl)methyl-phospho-nium] bis-(tetra-phenyl-borate) diethyl ether solvate.

Project description:In the course of substitution studies on the iron dihydrogen complex trans-[Fe(DMeOPrPE)(2)(H(2))H](BPh(4)) {DMeOPrPE = 1,2-bis-[bis-(methoxy-prop-yl)phosphino]ethane}, we discovered an unexpected transformation of the diphosphine ligand to a diphospho-nium dication without the use of any typical methyl-ating reagent. The P atoms in the dication of the title compound, C(20)H(46)O(4)P(2) (2+)·2C(24)H(20)B(-)·C(4)H(10)O, have a distorted tetra-hedral coordination with P-C(Me) distances of 1.791?(2) and 1.785?(2)?Å. The P-C-C-P torsion angle about the central dimethyl-ene bridge is -168.3?(1)°.

| S-EPMC2961532 | 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