Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Pyrrolidinium chloride.

ABSTRACT: The title compound, C(4)H(10)N(+)·Cl(-), was obtained as a decomposition product from 2,6-bis-(pyrrolidin-yl)pyridine. The anion lies on the same cristallographic mirror plane as the N atom of the cation, the complete cation being generated by mirror symmetry. The anions and cations are connected by N(+)-H?Cl(-) hydrogen bonds into chains along [100]. The pyrrolidinium cation is puckered in an envelope conformation E(N1).

SUBMITTER: Giglmeier H

PROVIDER: S-EPMC2968435 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Pyrrolidinium chloride.

Giglmeier Helene H Kerscher Tobias T Klüfers Peter P Mayer Peter P

Acta crystallographica. Section E, Structure reports online 20090225 Pt 3

The title compound, C(4)H(10)N(+)·Cl(-), was obtained as a decomposition product from 2,6-bis-(pyrrolidin-yl)pyridine. The anion lies on the same cristallographic mirror plane as the N atom of the cation, the complete cation being generated by mirror symmetry. The anions and cations are connected by N(+)-H⋯Cl(-) hydrogen bonds into chains along [100]. The pyrrolidinium cation is puckered in an envelope conformation E(N1). ...[more]

PMID: 21582247

Similar Datasets

1-Methyl-1-propyl-pyrrolidinium chloride.

Project description:The aymmetric unit of the title compound, C(8)H(18)N(+)·Cl(-), consists of one crystallographically independent 1-methyl-1-propyl-pyrrolidinium cation and one chloride anion, both of which lie in general positions. Minor hydrogen-bonded C-H?Cl inter-actions occur. However, no classical hydrogen bonding is observed.

| S-EPMC2960766 | biostudies-literature

1-(3-Phenyl-prop-2-yn-yl)pyrrolidinium chloride.

Project description:The title compound C(13)H(16)N(+)·Cl(-), an achiral salt, was synthesized by a three-component coupling reaction in the presence of copper(I) iodide. The configuration of five-membered ring is close to an envelope conformation. The crystal structure is stabilized by inter-molecular C-H?Cl and N-H?Cl inter-actions.

| S-EPMC2971203 | biostudies-literature

Crystal structure of [(2S,3R)-3-hy-droxy-3-phenyl-butan-2-yl]pyrrolidinium chloride.

Project description:In the title mol-ecular salt, C14H22NO(+)·Cl(-), the pyrrolidinium ring adopts a twisted conformation about one of the N-C bonds. It is oriented at a dihedral angle of 42.0 (1)° with respect to the benzene ring. The torsion angle for the central N-C-C-Car (ar = aromatic) linkage is 163.74 (15)°. In the crystal, the components are linked via N-H⋯Cl and O-H⋯Cl hydrogen bonds, forming zigzig chains along the b-axis direction. These chains are connected along the c axis by very weak C-H⋯π inter-actions, forming a two-dimensional supra-molecular network.

| S-EPMC4647393 | biostudies-literature

(2S,4R)-4-Fluoro-pyrrolidinium-2-carboxyl-ate.

Project description:The crystal structure of the title compound, C(5)H(8)FNO(2), at 100 K, displays inter-molecular N-H⋯O hydrogen bonding between the ammonium and carboxyl-ate groups as a result of its zwitterionic nature in the solid state. The five-membered ring adopts an envelope conformation with the C atom at the 3-position as the flap. The compound is of inter-est with respect to the synthesis and structural properties of synthetic collagens. The absolute structure was determined by comparison with the commercially available material.

| S-EPMC3414945 | biostudies-literature

Pyrrolidinium-2-carboxyl-ate-4-nitro-phenol (1/2).

Project description:In the title compound, C5H9NO2·2C6H5NO3, the pyrrolidine ring of the pyrrolidinium-2-carboxyl-ate zwitterion adopts a twisted conformation on the -CH2-CH2- bond adjacent to the N atom. The mean plane of this pyrrolidine ring forms dihedral angles of 25.3?(3) and 32.1?(3)° with the two nitro-phenol rings. An intra-molecular N-H?O hydrogen bond occurs in the pyrrolidinium-2-carboxyl-ate mol-ecule. In the crystal, mol-ecules are linked via O-H?O and N-H?O hydrogen bonds, enclosing R (3) 2(8) ring motifs, forming chains running parallel to the a axis. These chains are further cross-linked by O-H?O and C-H?O hydrogen bonds, forming undulating two-dimensional networks lying parallel to (001).

| S-EPMC3884369 | biostudies-literature

(S)-2-Amino-1-(pyrrolidinium-2-ylmeth-yl)pyridinium dibromide.

Project description:In the title compound, C(10)H(17)N(3) (2+)·2Br(-), the pyrrolidinium ring displays an envelope conformation, with the flap N atom lying 0.564 (6) Å from the mean plane of the remaining four C atoms. The attached methyl-ene C atom, which connects the pyrrolidinium ring and the 2-amino-pyridine group, is displaced from the plane of the four pyrrolidinium C atoms by 0.811 (8) Å in the same direction as the pyrrolidinium N atom. The amine N lies on the opposite side of this plane.

| S-EPMC2960442 | biostudies-literature

(S)-2-[(2-Ammonio-phenyl)-sulfanyl-methyl]pyrrolidinium dibromide.

Project description:In the title compound, C(11)H(18)N(2)S(2+)·2Br(-), the pyrrolidine ring displays a half-chair conformation, with the flap C atom lying 0.522?(5)?Å out of the plane of the other four atoms. The methyl-ene C atom, which connects the pyrrolidinium ring and the thio-ether group, is displaced from the plane of four pyrrolidinium atoms by 0.690?(6)?Å in the same direction as the flap C atom. The plane of four pyrrolidinium atoms is almost perpendicular to the benzene ring [dihedral angle = 75.02?(4)°]. The crystal structure is stabilized by hydrogen bonds between the N and Br atoms.

| S-EPMC2962173 | biostudies-other

(S)-2-(Pyrrolidinium-2-ylmethyl-sulfan-yl)pyridinium dibromide.

Project description:In the title compound, C(10)H(16)N(2)S(2+)·2Br(-), the pyrrolidine ring displays an envelope conformation, with the flap C atom lying 0.484?(5)?Å out of the plane of the rest of the pyrrolidine ring. The thio-ether group connects the pyridine ring and the 2-methyl-pyrrolidine group. Both pyrrolidine NH bonds form hydrogen bonds to the bromide anions. These hydrogen bonds link the cations and anions in a helical chain along the c axis.

| S-EPMC2961376 | biostudies-other

cis-2,5-Bis(2-fluoro-5-meth-oxy-pheneth-yl)pyrrolidinium formate.

Project description:In the title compound, C(22)H(28)F(2)NO(2) (+)·CHO(2) (-), there are three independent pyrrolidinium formate salt mol-ecules. In each cation, the central pyrrolidinium ring is not planar and the 2,5-disubstituted phenyl-ethyl groups are in equatorial positions. In the crystal, the ions are linked into a pair of chains parallel to the c axis by N-H⋯O hydrogen bonds between the NH group of the pyrrolidinium ring and the formate O atoms.

| S-EPMC3052016 | biostudies-literature

Expanding the Applicability of Poly(Ionic Liquids) in Solid Phase Microextraction: Pyrrolidinium Coatings.

Project description:Crosslinked pyrrolidinium-based poly(ionic liquids) (Pyrr-PILs) were synthesized through a fast, simple, and solventless photopolymerization scheme, and tested as solid phase microextraction (SPME) sorbents. A series of Pyrr-PILs bearing three different alkyl side chain lengths with two, eight, and fourteen carbons was prepared, characterized, and homogeneously coated on a steel wire by using a very simple procedure. The resulting coatings showed a high thermal stability, with decomposition temperatures above 350 °C, excellent film stability, and lifetime of over 100 injections. The performance of these PIL-based SPME fibers was evaluated using a mixture of eleven organic compounds with different molar volumes and chemical functionalities (alcohols, ketones, and monoterpenes). The Pyrr-PIL fibers were obtained as dense film coatings, with 67 ?m thickness, with an overall sorption increase of 90% and 55% as compared to commercial fibers of Polyacrylate (85 ?m) (PA85) and Polydimethylsiloxane (7 ?m) (PDMS7) coatings, respectively. A urine sample doped with the sample mixture was used to study the matrix effect and establish relative recoveries, which ranged from 60.2% to 104.1%.

| S-EPMC5615748 | 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