Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of 2-amino-pyridinium 6-chloro-nicotinate.

ABSTRACT: In the title salt, C5H7N(+)·C6H3ClNO(-), the 2-amino-pyri-din-ium cation inter-acts with the carboxyl-ate group of the 6-chloro-nicotinate anion through a pair of independent N-H?O hydrogen bonds, forming an R 2 (2)(8) ring motif. In the crystal, these dimeric units are connected further via N-H?O hydrogen bonds, forming chains along [001]. In addition, weak C-H?N and C-H?O hydrogen bonds, together with weak ?-? inter-actions, with centroid-centroid distances of 3.6560?(5) and 3.6295?(5)?Å, connect the chains, forming a two-dimensional network parallel to (100).

SUBMITTER: Jasmine NJ

PROVIDER: S-EPMC4555436 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of 2-amino-pyridinium 6-chloro-nicotinate.

Jasmine N Jeeva NJ Rajam A A Muthiah P Thomas PT Stanley N N Razak I Abdul IA Rosli M Mustaqim MM

Acta crystallographica. Section E, Crystallographic communications 20150812 Pt 9

In the title salt, C5H7N(+)·C6H3ClNO(-), the 2-amino-pyri-din-ium cation inter-acts with the carboxyl-ate group of the 6-chloro-nicotinate anion through a pair of independent N-H⋯O hydrogen bonds, forming an R 2 (2)(8) ring motif. In the crystal, these dimeric units are connected further via N-H⋯O hydrogen bonds, forming chains along [001]. In addition, weak C-H⋯N and C-H⋯O hydrogen bonds, together with weak π-π inter-actions, with centroid-centroid distances of 3.6560 (5) and 3.6295 (5) Å, conn ...[more]

PMID: 26396888

Similar Datasets

2-Amino-5-methyl-pyridinium nicotinate.

Project description:In the title compound, C(6)H(9)N(2) (+)·C(6)H(4)NO(2) (-), the 2-amino-5-methyl-pyridinium cation is essentially planar, with a maximum deviation of 0.023?(2)?Å. In the crystal, the cations and anions are linked via strong N-H?O hydrogen bonds, forming a two dimensional network parallel to (100). In addition, ??? inter-actions involving the pyridinium and pyridine rings, with centroid-centroid distances of 3.6383?(8)?Å, are observed.

| S-EPMC2983647 | biostudies-literature

Crystal structure of bis-(2-amino-5-chloro-pyridinium) tetra-chlorido-cobaltate(II).

Project description:The title salt, (C5H6ClN2)2[CoCl4], was synthesized by slow evaporation of an aqueous solution at room temperature. The asymmetric unit consists of two essentially planar (C5H6ClN2)(+) cations [maximum deviations = 0.010?(3) and 0.014?(3)?Å] that are nearly perpendicular to each other [dihedral angle = 84.12?(7)°]. They are bonded through N-H?Cl hydrogen bonds to distorted [CoCl4](2-) tetra-hedra, leading to the formation of undulating layers parallel to (100). The structure is isotypic with the Zn analogue [Kefi et. al (2011). Acta Cryst. E67, m355-m356.].

| S-EPMC4420110 | biostudies-literature

Crystal structure of 3-amino-1-propyl-pyridinium bromide.

Project description:The title mol-ecular salt, C8H13N2 (+)·Br(-), crystallizes with two independent 3-amino-pyridinium cations and two bromide anions in the asymmetric unit (Z' = 2). In the pyridine ring, the N atom is alkyl-ated by a propyl group. The dihedral angle between the mean planes of the pyridinium ring and the propyl group is 84.84?(2)° in cation A, whereas the corresponding angle is 89.23?(2)° in cation B. In the crystal, the anions and cations are linked via N-H?Br and C-H?Br hydrogen bonds, forming chains propagating along [100].

| S-EPMC4257424 | biostudies-literature

Crystal structure of 2-amino-5-nitro-pyridinium sulfamate.

Project description:The title mol-ecular salt, C5H6N3O2 (+) ·H2NO3S(-), was obtained from the reaction of sulfamic acid with 2-amino-5-nitro-pyridine. A proton transfer from sulfamic acid to the pyridine N atom occurred, resulting in the formation of a salt. As expected, this protonation leads to the widening of the C-N-C angle of the pyridine ring, to 122.9?(3)°, with the pyridinium ring being essentially planar (r.m.s. deviation = 0.025?Å). In the crystal, the ion pairs are joined by three N-H?O and one N-H?N hydrogen bonds in which the pyridinium N atom and the amino N atom act as donors, and are hydrogen bonded to the carboxyl-ate O atoms and the N atom of the sulfamate anion, thus generating an R (3) 3(22) ring motif. These motifs are linked by further N-H?O hydrogen bonds enclosing R (3) 3(8) loops, forming sheets parallel to (100). The sheets are linked via weak C-H?O hydrogen bonds, forming a three-dimensional structure. The O atoms of the nitro group are disordered over two sets of sites with a refined occupancy ratio of 0.737?(19):0.263?(19).

| S-EPMC4384627 | biostudies-literature

Crystal structure of 4-(di-methyl-amino)-pyridinium 4-amino-benzoate dihydrate.

Project description:In the title hydrated mol-ecular salt, C7H11N2 (+)·C7H6NO2 (-)·2H2O, the cation is protonated at the pyridine N atom and the dihedral angle between the benzene ring and the CO2 (-) group in the anion is 8.5 (2)°. In the crystal, the cation forms an N-H⋯O hydrogen bond to the anion and the anion forms two N-H⋯O hydrogen bonds to adjacent water mol-ecules. Both water mol-ecules form two O-H⋯O hydrogen bonds to carboxyl-ate O atoms. In combination, these hydrogen bonds generate a three-dimensional network and two weak C-H⋯π inter-actions are also observed.

| S-EPMC4331910 | biostudies-literature

2-Amino-5-chloro-pyridinium 4-amino-benzoate.

Project description:In the title molecular salt, C(5)H(6)ClN(2) (+)·C(7)H(6)NO(2) (-), the cations and anions are connected by cation-to-anion and anion-to-anion N-H?O hydrogen bonds into a three-dimensional network. The dihedral angle between the ring and the CO(2) group in the anion is 7.14?(7)°.

| S-EPMC3515278 | biostudies-literature

2-Amino-5-chloro-pyridinium nitrate.

Project description:The title structure, C(5)H(6)ClN(2) (+)·NO(3) (-), is held together by extensive hydrogen bonding between the NO(3) (-) ions and 2-amino-5-chloro-pyridinium H atoms. The cation-anion N-H?O hydrogen bonds link the ions into a zigzag- chain which develops parallel to the b axis. The structure may be compared with that of the related 2-amino-5-cyano-pyridinium nitrate.

| S-EPMC2971019 | biostudies-literature

2-Amino-5-chloro-pyridinium salicylate.

Project description:In the crystal structure of the title salt, C(5)H(6)ClN(2) (+)·C(7)H(5)O(3) (-), the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms via a pair of N-H?O hydrogen bonds, forming R(2) (2)(8) ring motifs. These motifs are centrosymmetrically paired via N-H?O hydrogen bonds, forming a complementary donor-donor-acceptor-acceptor (DDAA) array. A typical intra-molecular O-H?O hydrogen bond is also observed in the salicylate anion. The crystal structure is further stabilized by weak C-H?? inter-actions.

| S-EPMC2979380 | biostudies-literature

2-Amino-5-chloro-pyridinium hydrogen succinate.

Project description:In the title salt, C(5)H(6)ClN(2) (+)·C(4)H(5)O(4) (-), the pyridine N atom is protonated. The pyridinium and amino groups associate via a pair of N-H⋯O hydrogen bonds to the carboxyl-ate O atoms of the singly deprotonated succinate anion. The hydrogen succinate anions self-assemble via O-H⋯O hydrogen bonds into chains along the b axis. The crystal structure is further stabilized by additional N-H⋯O hydrogen bonds involving the second amino H atoms, as well as C-H⋯O contacts, forming a three-dimensional network.

| S-EPMC2979927 | biostudies-literature

2-Amino-5-chloro-pyridinium trifluoro-acetate.

Project description:The asymmetric unit of the title salt, C(5)H(6)ClN(2) (+)·C(2)F(3)O(2) (-), contains two independent 2-amino-5-chloro-pyridinium cations and two independent trifluoro-acetate anions. The F atoms of both anions are disordered over two sets of positions, with occupancy ratios of 0.672 (12):0.328 (12) and 0.587 (15):0.413 (15). In the crystal, the cations and anions are linked via N-H⋯O and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (001).

| S-EPMC2983973 | 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