Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Wang Y

PROVIDER: S-EPMC2960442 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Wang Yifeng Y Zhang Shuai S Xia Aibao A Luo Shuping S Xu Danqian D

Acta crystallographica. Section E, Structure reports online 20080118 Pt 2

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. ...[more]

PMID: 21201499

Similar Datasets

(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

3-(Ammonio-meth-yl)pyridinium dibromide.

Project description:In the title salt, C(6)H(10)N(2) (2+)·2Br(-), the non-H atoms of the 3-methyl-pyridinium unit of the cation are almost coplanar (r.m.s. deviation = 0.0052?Å). In the crystal, the dications and Br anions are linked by a combination of six hydrogen bonds, viz. one N(py)-H?Br, two C-H?Br and three H(2)N-H?Br, into supra-molecular layers, parallel to the bc plane, composed of alternating R(2) (4)(10) and R(2) (4)(8) loops. Weak ?-? inter-actions between cationic rings with centroid-centroid distances of 3.891?(2)?Å are also observed.

| S-EPMC3515173 | biostudies-literature

Hexaaqua-magnesium dibromide 5-(pyridinium-3-yl)tetra-zol-1-ide.

Project description:In the title compound, [Mg(H(2)O)(6)]Br(2)·2C(6)H(5)N(5), the Mg(II) atom, lying on an inversion center, is coordinated by six water mol-ecules in a distorted octa-hedral geometry. The pyridine and tetra-zole rings in the 5-(pyridinium-3-yl)tetra-zol-1-ide zwitterion are nearly coplanar, twisted from each other by a dihedral angle of 5.70?(1)°. The zwitterions, Br anions and complex cations are connected by O-H?Br, O-H?N and N-H?Br hydrogen bonds, leading to the formation of a three-dimensional network.

| S-EPMC3050346 | 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

2-(Benzoyl-amino-meth-yl)pyridinium chloride.

Project description:The title compound, C(13)H(13)N(2)O(+)·Cl(-), (1), was obtained as a colorless crystalline by-product during the synthesis of N-(2-pyridylmeth-yl)benzoyl-amine (2). The C-O bond length of 1.231 (2) Å in the benzoyl unit of (1) is slightly elongated in comparison with isolated C=O double bonds as also observed for (2) [1.237 (2) Å]. The N-C bond length of 1.345 (2) Å in the benzoic acid amide unit indicates the formation of an allylic O-C-N system and is very similar to the N-C bond lengths [1.345 (2) Å] of the pyridyl group. A further delocalization of charge from this allylic system into the phenyl fragment does not occur, which can be deduced from a characterisitc C-C single bond length of 1.499 (2) Å between these fragments. A dimer is formed via N-H⋯Cl hydrogen bonds. The two rings make a dihedral angle of 105.0 (2)°

| S-EPMC2959924 | biostudies-literature

3-Carb-oxy-2-(2-cyclo-propyl-amino-4-methyl-pyridinium-3-yl-amino)-pyridinium dinitrate dihydrate.

Project description:The two benzene rings in the cation of the title compound, C(15)H(18)N(4)O(2) (2+)·2NO(3) (-)·2H(2)O, are almost perpendicular [dihedral angle = 91.6?(2)°]. In the crystal, the components are linked by O-H?O, N-H?O and C-H?O hydrogen bonds.

| S-EPMC3247599 | biostudies-literature

2-Amino-5-(4-carboxyl-atophen-yl)-pyridinium monohydrate.

Project description:The title compound, C(12)H(10)N(2)O(2)·H(2)O, crystallizes as a zwitterion in which the pyridine N atom is protonated and the carb-oxy -OH group is deprotonated. The benzene and pyridinium rings are inclined with a dihedral angle of 6.63?(5)° between them. In the crystal, inter-molecular O-H?O and N-H?O hydrogen-bonding inter-actions link adjacent mol-ecules into a two-dimensional double layered supra-molecular network.

| S-EPMC3435761 | biostudies-literature

4-[(2-Hy-droxy-benz-yl)amino]-pyridinium nitrate.

Project description:The planes of the aromatic rings in the cation of the title salt, C(12)H(13)N(2)O(+)·NO(3) (-), are twisted along the -CH(2)-NH- single bond by 75.3 (1)°. In the crystal, the phenol O, amine N and pyridinium N atoms are hydrogen-bond donors to the O atoms of the nitrate counter-ions. These hydrogen bonds lead to the formation of a layer in the crystal.

| S-EPMC3414929 | biostudies-literature

2-Amino-1-(3-sulfonato-prop-yl)pyridinium monohydrate.

Project description:In the title compound, C(8)H(12)N(2)O(3)S·H(2)O, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds and weak C-H⋯O inter-actions, which form R(1) (2)(6) and R(2) (2)(12) ring motifs, link the components into a three-dimensional network.

| S-EPMC3051974 | biostudies-literature

Dibromido[(tert-butyl-amino)dimeth-yl(piperidin-1-ylmeth-yl)silane-?N,N']zinc(II).

Project description:The title compound, [ZnBr(2)(C(12)H(28)N(2)Si)], is an example of a neutral coordination compound of a bidentate ligand to a metal centre with the Zn atom being coordinated by two Br and two N atoms, yielding a slightly distorted tetra-hedral coordination environment.

| S-EPMC2969557 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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