Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Amino-5-methyl-pyridinium picolinate 0.63-hydrate.

ABSTRACT: The asymmetric unit of the title compound, C(6)H(9)N(2) (+)·C(6)H(4)NO(2) (-)·0.63H(2)O, contains two crystallographically independent 2-amino-5-methyl-pyridinium cations, a pair of picolinate anions and two water mol-ecules, one with an occupancy of 0.25. Both the 2-amino-5-methyl-pyridine mol-ecules are protonated at the pyridine N atoms. In the crystal structure, the cations, anions and water mol-ecules are linked via N-H?O, N-H?N and O-H?O hydrogen bonds, as well as by C-H?O contacts, forming a chain along the b axis. In addition, weak ?-? inter-actions are observed between pyridinium rings, with centroid-centroid distances of 3.5306?(13)?Å.

SUBMITTER: Hemamalini M

PROVIDER: S-EPMC2979649 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Amino-5-methyl-pyridinium picolinate 0.63-hydrate.

Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100522 Pt 6

The asymmetric unit of the title compound, C(6)H(9)N(2) (+)·C(6)H(4)NO(2) (-)·0.63H(2)O, contains two crystallographically independent 2-amino-5-methyl-pyridinium cations, a pair of picolinate anions and two water mol-ecules, one with an occupancy of 0.25. Both the 2-amino-5-methyl-pyridine mol-ecules are protonated at the pyridine N atoms. In the crystal structure, the cations, anions and water mol-ecules are linked via N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds, as well as by C-H⋯O contacts, formin ...[more]

PMID: 21579497

Similar Datasets

Bis(2-amino-4-methyl-pyridinium) terephthalate tetra-hydrate.

Project description:In the crystal structure of the title salt, 2C(6)H(9)N(2) (+)·C(8)H(4)O(4) (2-)·4H(2)O, the terephthalate carboxyl-ate groups inter-acts with the 2-amino-4-methyl-pyridinium cations via a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The water mol-ecules form an R(6) (6)(12) ring motif through O-H?O hydrogen bonds and these motifs are fused, forming a supra-molecular chain along the c axis. The R(2) (2)(8) and R(6) (6)(12) ring motifs are connected via O-H?O hydrogen bonds. In addition, ?-? stacking inter-actions are observed between the pyridinium rings [centroid-centroid distance = 3.522?(12)?Å].

| S-EPMC3007316 | biostudies-literature

(E)-2-[4-(Diethyl-amino)-styr-yl]-1-methyl-pyridinium benzene-sulfonate mono-hydrate.

Project description:The asymmetric unit of the title compound, C(18)H(23)N(2) (+)·C(6)H(5)O(3)S(-)·H(2)O, comprises a 2-[4-(diethyl-amino)-styr-yl]-1-methyl-pyridinium cation, a benzene-sulfonate anion and a solvent water mol-ecule. One ethyl substituent of the diethyl-amino group of the cation is disordered over two positions in a 0.73789 (9):0.26211 (9) ratio. The cation exists in the E configuration with respect to the C=C bond and the π-conjugated system is essentially planar with a dihedral angle of 0.82 (10)° between the pyridinium and benzene rings. The cation and anion are almost orthogonal with a dihedral angle of 86.71 (10)° between the π-conjugated system of the cation and benzene ring of the anion. In the crystal, mol-ecules are arranged into chains along [001] and adjacent chains are linked by weak C-H⋯O inter-actions. The crystal is further stablilized by O-H⋯O hydrogen bonds and weak C-H⋯π inter-actions.

| S-EPMC3051968 | biostudies-literature

2-Amino-3-methyl-pyridinium 2-amino-5-methyl-pyridinium sulfate monohydrate.

Project description:The asymmetric unit of the title compound, 2C(6)H(9)N(2) (+)·SO(4) (2-)·H(2)O, contains two isomeric protonated amino-methyl-pyridine cations, a sulfate anion and a solvent water mol-ecule. The cations are in the iminium tautomeric form. In the crystal structure, inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen bonds link the components into a three-dimensional network. Additional stabilization is provided by weak ?-? stacking inter-actions, with centroid-centroid distances of 3.758?(2) and 3.774?(1)?Å.

| S-EPMC2972034 | biostudies-literature

Bis(2-amino-6-methyl-pyridinium) trans-diaqua-bis-(pyrazine-2,3-dicarboxyl-ato)cuprate(II) hexa-hydrate.

Project description:The title compound, (C(6)H(9)N(2))(2)[Cu(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·6H(2)O, was obtained by the reaction of CuCl(2)·2H(2)O with pyrazine-2,3-dicarb-oxy-lic acid (pyzdcH(2)) and 2-amino-6-methyl-pyridine (2a-6mpy) in aqueous solution. The Cu(II) atom is located on an inversion centre and has an overall octa-hedral coordination environment. Two N and two O atoms from (pyzdc)(2-) ligands define the equatorial plane and two water mol-ecules are in axial positions, resulting in a typical tetra-gonally Jahn-Teller-distorted environment. Extensive classical O-H?O, O-H?N and N-H?O and non-classical C-H?O hydrogen bonds, as well as ?-? stacking inter-actions between aromatic rings of the cations [centroid-centroid distance = 3.58?(9)?Å], lead to the formation of a three-dimensional supra-molecular structure.

| S-EPMC3100057 | biostudies-literature

Bis(2-amino-6-methyl-pyridinium) trans-diaqua-bis-(pyrazine-2,3-dicarboxyl-ato)cobaltate(II) octa-hydrate.

Project description:The title compound, (C(6)H(9)N(2))(2)[Co(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·8H(2)O, was obtained by the reaction of CoCl(2)·6H(2)O with 1,4-pyrazine-2,3-dicarb-oxy-lic acid and 2-amino-6-methyl-pyridine in aqueous solution (molar ratio 1:2:2). The Co(II) ion is situated on an inversion centre and is coordinated by two O and two N atoms of two symmetry-related 1,4-pyrazine-2,3-dicarboxyl-ate ligands and two water mol-ecules and has a disorted octa-hedral coordination environment. The asymmetric unit also contains four water mol-ecules. In the crystal, extensive inter-molecular classical N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds and π-π stacking inter-actions [centroid-centroid distance = 3.490 (1) Å] connect the various components, forming a three-dimensional network.

| S-EPMC3051538 | biostudies-literature

Bis(2-amino-4-methyl-pyridinium) trans-diaqua-bis-(pyrazine-2,3-dicarboxyl-ato)cuprate(II) hexa-hydrate.

Project description:The title compound, (C(6)H(9)N(2))(2)[Cu(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·6H(2)O, consists of a mononuclear trans-[Cu(pzdc)(2)(H(2)O)(2)](2-) dianion (pzdc is pyrazine-2,3-dicarboxyl-ate) and two [ampyH](+) cations (ampy is 2-amino-4-methyl-pyridine) with six water mol-ecules of solvation. The Cu(II) atom is hexa-coordinated by two pzdc groups and two water mol-ecules. The coordinated water mol-ecules are in trans-diaxial positions and the pzdc dianion acts as a bidentate ligand through an O atom of the carboxyl-ate group and the N atom of the pyrazine ring. There are diverse hydrogen-bonding inter-actions, such as N-H⋯O and O-H⋯O contacts, which lead to the formation of a three-dimensional supra-molecular architecture.

| S-EPMC3007013 | biostudies-literature

2-Amino-5-methyl-pyridinium 4-methyl-benzoate.

Project description:The 4-methyl-benzoate anion of the title salt, C6H9N2(+)·C8H7O2(-), is nearly planar, with a dihedral angle of 6.26?(10)° between the benzene ring and the carboxyl-ate group. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H?O hydrogen bonds with an R2(2)(8) ring motif, forming an approximately planar ion pair with a dihedral angle of 9.63?(4)° between the pyridinium and benzene rings. The ion pairs are further connected via N-H?O and weak C-H?O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.

| S-EPMC3588314 | biostudies-literature

2-Amino-5-methyl-pyridinium 2-amino-benzoate.

Project description:In the 2-amino-benzoate anion of the title salt, C(6)H(9)N(2) (+)·C(7)H(6)NO(2) (-), an intra-molecular N-H?O hydrogen bond is observed. The dihedral angle between the ring and the CO(2) group is 8.41?(13)°. In the crystal, 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 an R(2) (2)(8) ring motif. The ion pairs are further connected via N-H?O hydrogen bonds, resulting in a donor-donor-acceptor-acceptor (DDAA) array of quadruple hydrogen bonds. The crystal structure also features a weak N-H?O hydrogen bond and a C-H?? inter-action, resulting in a three-dimensional network.

| S-EPMC3515287 | biostudies-literature

2-Amino-4-methyl-pyridinium 4-amino-benzoate.

Project description:In the structure of the title salt, C(6)H(9)N(2) (+)·C(7)H(6)NO(2) (-), the 4-amino-benzoate anions are linked to adjacent anions and 2-amino-4-methyl-pyridinium cations via N-H?O hydrogen bonds, forming a three-dimensional supra-molecular structure. The crystal structure also shows a weak C-H?O hydrogen bond between adjacent anions. Within the 4-amino-benzoate anion, the carboxyl-ate group is twisted by 14.0?(4)° with respect to the benz-ene ring.

| S-EPMC2961432 | biostudies-literature

2-Amino-5-methyl-pyridinium 3-amino-benzoate.

Project description:In the title compound, C(6)H(9)N(2) (+)·C(7)H(6)NO(2) (-), the H atom of the N-H group and an H atom of the 2-amino group from the cation are involved in inter-molecular N-H⋯O hydrogen bonds with the O atoms of the carboxyl-ate group of the anion, forming an R(2) (2)(8) ring motif. These ring motifs are, in turn, connected by further N-H⋯O hydrogen bonds, forming a two-dimensional network. The crystal structure is further stabilized by π⋯π stacking inter-actions involving the benzene and pyridinium rings with a centroid-centroid distance of 3.7594 (8) Å.

| S-EPMC2983539 | 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