Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-Methyl-1-propyl-pyrrolidinium chloride.

ABSTRACT: 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.

SUBMITTER: Dean PM

PROVIDER: S-EPMC2960766 | biostudies-literature | 2008 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-Methyl-1-propyl-pyrrolidinium chloride.

Dean Pamela M PM Pringle Jennifer M JM Macfarlane Douglas R DR

Acta crystallographica. Section E, Structure reports online 20080229 Pt 3

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. ...[more]

PMID: 21201968

Similar Datasets

Pyrrolidinium chloride.

Project description: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).

| S-EPMC2968435 | 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

(R)-1-[(S)-(3-Cyano-thio-morpholino)carbon-yl]-2-methyl-propyl-aminium chloride dihydrate.

Project description:In the title compound, C(10)H(18)N(3)OS(+)·Cl(-)·2H(2)O, the three C atoms of the isopropyl group are disordered and were refined using a split-site mode [occupancy ratio 0.53 (3):0.47 (3)]. In the crystal, the cations, anions and water mol-ecules are connected via O-H⋯O, O-H⋯Cl, N-H⋯Cl and N-H⋯O hydrogen bonding.

| S-EPMC2971975 | biostudies-literature

Tetra-n-propyl-ammonium chloride monohydrate.

Project description:The crystal structure of the title salt hydrate, C(12)H(28)N(+)·Cl(-)·H(2)O, consists of non-inter-acting cations and anions. The water mol-ecule forms hydrogen bonds to two chloride ions, about a center of inversion, generating a planar eight-membered {⋯H-O-H⋯Cl}(2) ring.

| S-EPMC2969089 | 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

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

Propyl 2-(4-methyl-benzene-sulfonamido)-benzoate.

Project description:In the title compound, C(17)H(19)NO(4)S, the terminal ethyl group is disordered over two sets of sites, with refined site occupancies of 0.536 (7) and 0.464 (7). The dihedral angle between the two aromatic rings is 81.92 (12)°. The mol-ecular conformation is stabilized by intra-molecular N-H⋯O and C-H⋯O hydrogen bonds, which generate S(6) motifs. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming chains along the b axis.

| S-EPMC3344515 | biostudies-literature

N,N-Dimethyl-N-propyl-propan-1-aminium chloride monohydrate.

Project description:The title compound, C(8)H(20)N(+)·Cl(-)·H(2)O, has been prepared by a simple one-pot synthesis route followed by anion exchange using resin. In the crystal structure, the cations are packed in such a way that channels exist parallel to the b axis. These channels are filled by the anions and water mol-ecules, which inter-act via O-H⋯Cl hydrogen bonds [O⋯Cl = 3.285 (3) and 3.239 (3) Å] to form helical chains. The cations are involved in weak inter-molecular C-H⋯Cl and C-H⋯O hydrogen bonds. The title compound is not isomorphous with the bromo or iodo analogues.

| S-EPMC2959546 | biostudies-literature

Methyl 3,4-bis-(cyclo-propyl-meth-oxy)benzoate.

Project description:The title compound, C(16)H(20)O(4), was obtained unintentionally as the byproduct of an attempted synthesis of methyl 3-(cyclo-propyl-meth-oxy)-4-hy-droxy-benzoate. In the crystal, the mol-ecules are linked by inter-molecular C-H?O inter-actions.

| S-EPMC3089130 | biostudies-literature

(Z)-N-(2,6-Diiso-propyl-phen-yl)-4-nitro-benzimidoyl chloride.

Project description:In the title compound, C19H21ClN2O2, the aromatic rings are approximately perpendicular to each other, subtending a dihedral angle of 87.7?(1)°. In the crystal, the 4-nitro-phenyl groups of pairs of neighbouring mol-ecules are parallel and oriented head-to-tail with a ring centroid-centroid distance of 3.9247?(12)?Å, leading to a ?-? inter-action between the pair. The faces of each phenyl ring of the 2,6-diiso-propyl-phenyl group inter-act with two different groups, viz. a chloro group of an adjacent mol-ecule on one side and the edge of the 4-nitro-phenyl ring of a second mol-ecule on the other side.

| S-EPMC3884373 | 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