Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Amino-1-methyl-pyrazin-1-ium iodide.

ABSTRACT: In the cation of the title compound, C(5)H(8)N(3) (+)·I(-), the C-N(H(2)) bond distance [1.338?(8)?Å] is at the lower end of the range for aryl amines. In the crystal structure, cations and anions are linked via N-H?I hydrogen bonds, forming centrosymmetric four-component clusters.

SUBMITTER: Foucher D

PROVIDER: S-EPMC2980151 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-Amino-1-methyl-pyrazin-1-ium iodide.

Foucher Daniel D Wylie Stephen S Macartney Donal H DH Lough Alan J AJ

Acta crystallographica. Section E, Structure reports online 20091204 Pt 1

In the cation of the title compound, C(5)H(8)N(3) (+)·I(-), the C-N(H(2)) bond distance [1.338 (8) Å] is at the lower end of the range for aryl amines. In the crystal structure, cations and anions are linked via N-H⋯I hydrogen bonds, forming centrosymmetric four-component clusters. ...[more]

PMID: 21580162

Similar Datasets

3-Amino-1-methyl-pyrazin-1-ium chloride.

Project description:In the cation of the title compound, C(5)H(8)N(3) (+)·Cl(-), the C-N(H(2)) bond distance [1.348?(3)?Å] is at the lower end of the range for aryl amines. In the crystal structure, cations and anions are linked via N-H?Cl hydrogen bonds, forming one-dimensional chains along [100].

| S-EPMC2980274 | biostudies-literature

2-Amino-3-carb-oxy-pyrazin-1-ium nitrate monohydrate.

Project description:In crystal structure of the title compound, C(5)H(6)N(3)O(2) (+)·NO(3) (-)·H(2)O, inter-molecular N-H?O, O-H?N and O-H?O hydrogen bonds link the cations, anions and water mol-ecules into ribbons extending in [10]. Weak inter-molecular C-H?O hydrogen bonds further link these ribbons into sheets parallel to (3).

| S-EPMC3051481 | biostudies-literature

2-Amino-3-carb-oxy-pyrazin-1-ium dihydrogen phosphate.

Project description:In the crystal structure of the title compound, C(5)H(6)N(3)O(2) (+)·H(2)PO(4) (-), the dihydrogen phosphate anions are linked through short O-H?O hydrogen bonds, forming infinite double chains running parallel to the b axis. Centrosymetric N-H?O hydrogen-bonded cationic dimers form bridges between these chains by means of inter-molecular N-H?O and O-H?O hydrogen bonds, leading to a two-dimensional network parallel to (100) in which R(3) (3)(12), R(4) (3)(10) R(2) (2)(8) and C(4) graph-set motifs are generated. Weak inter-molecular C-H?O hydrogen bonds connect these layers, forming a three-dimensional network.

| S-EPMC3120607 | biostudies-literature

Bis(2-amino-3-carb-oxy-pyrazin-1-ium) sulfate dihydrate.

Project description:The crystal structure of the title compound, 2C(5)H(6)N(3)O(2) (+)·SO(4) (2-)·2H(2)O, displays a variety of N-H?O and O-H?O hydrogen bonds in which all potential donors and acceptors are involved. In the crystal, cations and anions are inter-connected, forming R(3) (3)(10) and R(2) (2)(8) ring motifs whereas the anions and water mol-ecules form R(2) (3)(10) rings, which develop in chains running along [100]. The resulting three-dimensional network exhibits undulating sheets parallel to (011), marked by the presence of R(6) (6)(26) rings in which six cations are involved.

| S-EPMC3052097 | biostudies-literature

2-Amino-3-carb-oxy-pyrazin-1-ium perchlorate bis-(2-amino-pyrazin-1-ium-3-carboxyl-ate) monohydrate.

Project description:The asymmetric unit of the title compound, C(5)H(6)N(3)O(2) (+)·ClO(4) (-)·2C(5)H(5)N(3)O(2)·H(2)O, comprises two symmetry-independent zwitterions, one cation, one perchlorate anion and one water mol-ecule. In the crystal, the three different types of organic entities are linked by N-H?O and N-H?N hydrogen bonds, forming undulating sheets parallel to (1-10). These sheets are in turn connected by O-H?N and O-H?O hydrogen bonds involving perchlorate anions and water mol-ecules, forming a three-dimensional network. Intra-molecular N-H?O and weak inter-molecular C-H?O hydrogen bonds are also present.

| S-EPMC3379306 | biostudies-other

3-Allyl-1-methyl-1H-benzotriazol-3-ium iodide.

Project description:In the crystal structure of 1-methyl-3-allyl benzotriazolium iodide, C(10)H(12)N(3) (+)·I(-), centrosymmetric dimers of coplanar cations are π-stacked with an inter-planar distance of 3.453 (6) Å. The iodide anions are situated above and below the formally positive charged triazolium rings.

| S-EPMC3435747 | biostudies-literature

2-Methyl-sulfan-yl-1H-perimidin-3-ium iodide.

Project description:In the structure of the title salt C(12)H(11)N(2)S(+)·I(-), the methyl-sulfanyl group of the cation is nearly coplanar with the perimidine rings, as indicated by the C-S-C-N torsion angles of 2.9 (5) and -177.2 (3)°, respectively. The (S)C-N bond lengths in the heterocyclic ring are approximately equal [1.325 (5) and 1.326 (6) Å] suggesting a degree of delocalization. In the crystal, cations and anions are linked via two discrete N-H⋯I hydrogen bonds, forming chains along the b axis.

| S-EPMC3435637 | biostudies-literature

2-Hy-droxy-methyl-1,3-dimethyl-1H-benzimidazol-3-ium iodide.

Project description:In the cation of the title compound, C10H13N2O(+)·I(-), all non-H atoms, with the exception of the O atom, are essentially coplanar, with a maximum deviation of 0.04?(1)?Å. In the crystal, the cations and anions are arranged in layers parallel to (100). The cations are connected to the anions via an O-H?I hydrogen bond and there are significant ?-? stacking inter-actions between cation layers, with centroid-centroid distances in the range 3.606?(5)-3.630?(5)?Å. A weak intra-molecular C-H?O hydrogen bond is also observed. The crystal studied was an inversion twin with refined components of 0.52?(5) and 0.48?(5).

| S-EPMC3884380 | biostudies-literature

(3-Amino-pyrazin-4-ium-2-carboxyl-ate-?N,O)diaqua-zinc(II) dinitrate.

Project description:The water-coordinated Zn(II) atom in the title salt, [Zn(C(5)H(5)N(3)O(2))(2)(H(2)O)(2)](NO(3))(2), is N,O-chelated by a zwitterionic amino-pyraziniocarboxyl-ate unit; the metal atom, which lies on a center of inversion, shows an octa-hedral coordination. The nitrate ion inter-acts indirectly, through N-H?O hydrogen bonds. In the crystal, adjacent cations and anions are connected by O-H?O hydrogen bonds into a three-dimensional network motif. The crystal studied was a non-merohedral twin with two minor components of 15.1?(1) and 8.0?(1)%.

| S-EPMC3009295 | biostudies-literature

Bis[diamino-(ethoxy-carbonyl-amino)-methyl-ium] sulfate.

Project description:In the mol-ecule of the title compound, 2C(4)H(10)N(3)O(2) (+)·SO(4) (-), the cations are planar (r.m.s. deviations = 0.0144 and 0.0236 Å) and oriented at a dihedral angle of 62.30 (4)°. Intra-molecular N-H⋯O hydrogen bonds result in the formation of two planar six-membered rings. The cations are linked to the sulfate ion through inter-molecular C-H⋯O and N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. In the crystal structure, inter-molecular N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2968979 | 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