Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,6-Di(pyrrolidin-1-yl)pyridinium chloride monohydrate.

ABSTRACT: In the organic cation of the title compound, C(13)H(20)N(3) (+)·Cl(-)·H(2)O, the two pyrrolidine rings adopt twisted conformations. The pyridine ring makes dihedral angles of 14.57?(6) and 23.96?(6)° with the mean planes of the pyrrolidine rings. In the crystal structure, pairs of bifurcated inter-molecular O-H?Cl hydrogen bonds link the water mol-ecules and chloride anions into an R(4) (4)(8) ring motif. Inter-molecular N-H?Cl, C-H?Cl and C-H?O hydrogen bonds further inter-connect these rings with the organic cations into a two-dimensional network parallel to the bc plane.

SUBMITTER: Al-Dajani MT

PROVIDER: S-EPMC3007020 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,6-Di(pyrrolidin-1-yl)pyridinium chloride monohydrate.

Al-Dajani Mohammad T M MT Abdallah Hassan H HH Mohamed Nornisah N Goh Jia Hao JH Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100626 Pt 7

In the organic cation of the title compound, C(13)H(20)N(3) (+)·Cl(-)·H(2)O, the two pyrrolidine rings adopt twisted conformations. The pyridine ring makes dihedral angles of 14.57 (6) and 23.96 (6)° with the mean planes of the pyrrolidine rings. In the crystal structure, pairs of bifurcated inter-molecular O-H⋯Cl hydrogen bonds link the water mol-ecules and chloride anions into an R(4) (4)(8) ring motif. Inter-molecular N-H⋯Cl, C-H⋯Cl and C-H⋯O hydrogen bonds further inter-connect these rings w ...[more]

PMID: 21588023

Similar Datasets

1,1'-{[1,1'-(Pyridinium-2,6-di-yl)diethyl-idyne]diimino}diguanidinium penta-chloridocadmate(II) monohydrate.

Project description:In the title organic-inorganic hybrid salt, (C(11)H(20)N(9))[CdCl(5)]·H(2)O, the crystal structure is stabilized by intermolecular hydrogen bonds between the organic cation, the complex inorganic anion and the uncoordinated water molecule, forming a three-dimensional network.

| S-EPMC2977479 | biostudies-literature

Crystal structure of 2,6-di-amino-pyridinium chloride.

Project description:The asymmetric unit of the title salt, C5H8N3 (+)·Cl(-), comprises one half of the 2,6-di-amino-pyridinium cation (the other half being completed by the application of mirror symmetry) and one Cl(-) counter-anion, also located on the mirror plane. The amino N atom shows a significant pyramidalization, with a dihedral angle of 30.4 (14)° between the least-squares planes of the amino group and the non-H atoms of the 2,6-di-amino-pyridinium moiety. In the crystal, the cationic mol-ecules and Cl(-) counter-anions are arranged in sheets parallel to (001) consisting of alternating polar and non-polar parts associated with the the Cl(-) anions, pyridinium and amino moieties, and the pyridine rings, respectively. N-H⋯Cl inter-actions within the polar part, as well as slipped π-π inter-actions in the non-polar part, help to establish the three-dimensional network.

| S-EPMC4778825 | biostudies-literature

4-tert-Butyl-pyridinium chloride-4,4'-(propane-2,2-di-yl)bis-(2,6-di-methyl-phenol)-toluene (2/2/1).

Project description:In the title solvated salt, C9H14N(+)·Cl(-)·C19H24O2·0.5C7H7, two mol-ecules of 4,4'-(propane-2,2-di-yl)bis-(2,6-di-methyl-phenol) are linked via O-H⋯Cl hydrogen bonds to two chloride ions, each of which is also engaged in N-H⋯Cl hydrogen bonding to a 4-tert-butyl-pyridinium cation, giving a cyclic hydrogen-bonded entity centred at 1/2, 1/2, 1/2. The toluene solvent mol-ecule resides in the lattice and resides on an inversion centre; the disorder of the methyl group requires it to have a site-occupancy factor of 0.5. No crystal packing channels are observed.

| S-EPMC3998618 | biostudies-literature

1-(5-Amino-2,4-dinitro-phen-yl)pyridinium chloride monohydrate.

Project description:In the cation of the title hydrated salt, C(11)H(9)N(4)O(4) (+)·Cl(-)·H(2)O, the six-membered rings are inclined to each other at 79.0?(1)° and an intra-molecular N-H?O hydrogen bond occurs. In the crystal, N-H?Cl hydrogen bonds link two cations and two anions into centrosymmetric group, and O-H?Cl hydrogen bonds involving the water mol-ecules further link these groups into chains in [101]. An O-H?O inter-action is also present. The water mol-ecule is disordered over two sets of sites in a 0.555?(13):0.445?(13) ratio.

| S-EPMC3470313 | biostudies-literature

2,6-Di-tert-butyl-4-(morpholinometh-yl)-phenol monohydrate.

Project description:In the title compound, C(19)H(31)NO(2)·H(2)O, the morpholine ring adopts a chair conformation, while the phenolic hydroxyl group is sterically hindered by the adjacent tert-butyl groups. The crystal structure is stabilized by a number of O-H⋯O, O-H⋯N and C-H⋯O hydrogen-bonding inter-actions, involving both the organic and the solvent mol-ecules.

| S-EPMC2960252 | biostudies-literature

4-{[(5-Methyl-2-fur-yl)methyl-ene]hydrazinocarbon-yl}pyridinium chloride monohydrate.

Project description:The title compound, C(12)H(12)N(3)O(2) (+)·Cl(-)·H(2)O, was prepared by the reaction of N'-[(5-methyl-2-fur-yl)methyl-ene]isonicotino-hydrazide and hydro-chloric acid at room temperature. The entire molecule is approximately planar with a maximum deviation of 0.047?(2)?Å. An intramolecular C-H?O interaction is observed. O-H?Cl, N-H?Cl, N-H?O, N-H?N, C-H?Cl and C-H?O hydrogen-bonds stabilize the crystal structure.

| S-EPMC2977373 | biostudies-literature

4-(5-Amino-1H-1,2,4-triazol-3-yl)pyridinium chloride monohydrate.

Project description:In the cation of the title compound, C(7)H(8)N(5) (+)·Cl(-)·H(2)O, the mean planes of the pyridine and 1,2,4-triazole rings form a dihedral angle of 2.3 (1)°. The N atom of the amino group adopts a trigonal-pyramidal configuration. The N atom of the pyridine ring is protonated, forming a chloride salt. In the crystal, inter-molecular N-H⋯O, N-H⋯N, N-H⋯Cl and O-H⋯Cl hydrogen bonds link the cations, anions and water mol-ecules into layers parallel to the (1, 0, ) plane.

| S-EPMC3051743 | biostudies-literature

2-(1H-Pyrazol-3-yl)pyridinium chloride monohydrate.

Project description:The title organic salt, C(8)H(8)N(3) (+)·Cl(-)·H(2)O, exhibits a rich hydrogen-bonding network involving all constituent species. The water mol-ecules are engaged in strong O-H?Cl inter-actions with the chloride anions, two neighboring protonated 2-(1H-pyrazol-3-yl)pyridinium species inter-act via N-H?N bonds with two pyrazole rings. Further, a short and highly directional C-H?O inter-action is observed connecting the pyridinium ring to the water mol-ecule of crystallization. Weak C-H?Cl and N-H?Cl inter-actions contribute to the stabilization of the crystal structure.

| S-EPMC2977379 | biostudies-other

2,6-Dimethyl-anilinium chloride monohydrate.

Project description:In the title hydrated mol-ecular salt, C(8)H(12)N(+)·Cl(-)·H(2)O, the component species inter-act by way of N-H⋯O, N-H⋯Cl and O-H⋯Cl hydrogen bonds, resulting in a three-dimensional network.

| S-EPMC2960140 | biostudies-literature

1-(2,3-Di-hydroxy-prop-yl)-4-{2-[4-(di-methyl-amino)-phen-yl]vin-yl}pyridinium chloride.

Project description:The title compound, C18H23N2O2 (+)·Cl(-), crystallizes with two independent cations and anions per cell. Each cation has twofold rotational disorder about the linking vinyl groups but with unequal occupancies [0.963?(5):0.037?(5) and 0.860?(8):0.140?(8)]. The two independent cations are close to being related by an inversion centre but the data does not support the expected centrosymmetric space-group assignment. The conclusion is that the differing rotational disorder has lead to an overall non-centrosymmetric lattice. In the crystal, the mol-ecules pack in layers parallel to (133) and (-13-3), chain-linked with motif C (1) 2(7) by the di-hydroxy-propyl O-H?Cl?H-O hydrogen bonds. Other lattice binding is provided by O-H?Cl, C-H?Cl and C-H?N inter-actions.

| S-EPMC3914108 | 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