Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(Aminocarbonyl)hydrazin-1-ium 6-carboxy-picolinate.

ABSTRACT: In the crystal structure of the title proton-transfer compound, CH(6)N(3)O(+)·C(7)H(4)NO(4) (-), O-H?O and N-H?O hydrogen bonds are formed respectively between the cations and the anions, each component affording a supra-molecular chain along the c axis. The cation and anion chains are further linked by N-H?O and N-H?N hydrogen bonds. A ?-? inter-action is also observed between the pyridine rings; the inter-planar separation and the centroid-centroid distance are 3.3425?(6) and 4.6256?(11)?Å, respectively.

SUBMITTER: Idrees M

PROVIDER: S-EPMC2969516 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(Aminocarbonyl)hydrazin-1-ium 6-carboxy-picolinate.

Idrees Mohammad M Shadab Shah Mohammad SM Kumar Sarvendra S

Acta crystallographica. Section E, Structure reports online 20090606 Pt 7

In the crystal structure of the title proton-transfer compound, CH(6)N(3)O(+)·C(7)H(4)NO(4) (-), O-H⋯O and N-H⋯O hydrogen bonds are formed respectively between the cations and the anions, each component affording a supra-molecular chain along the c axis. The cation and anion chains are further linked by N-H⋯O and N-H⋯N hydrogen bonds. A π-π inter-action is also observed between the pyridine rings; the inter-planar separation and the centroid-centroid distance are 3.3425 (6) and 4.6256 (11) Å, re ...[more]

PMID: 21582793

Similar Datasets

2,2-Dibenzyl-hydrazin-1-ium chloride.

Project description:In the title salt, C14H17N2(+)·Cl(-), the central N atom is pyramidal (sum of bond angles = 330.9°) and there is a near orthogonal relationship between the benzene rings [dihedral angle = 89.95?(10)°]. The crystal packing features N-H?Cl hydrogen bonds, which lead to a supra-molecular undulating ribbon along the a axis comprising edge-shared eight-membered {?HNH?Cl}2 synthons. The chains are connected into layers in the ab plane by C-H?? inter-actions.

| S-EPMC3588411 | biostudies-literature

4-Carboxy-pyridazin-1-ium chloride.

Project description:The structure of the title compound, C(5)H(5)N(2)O(2) (+)·Cl(-), is composed of chloride anions and 4-carboxy-pyridazin-1-ium cations. Chloride anions bridge the cations via O-H?Cl and N-H?Cl hydrogen bonds to form ribbons. The latter, linked by van der Waals forces with lengths in the range 3.254?(2)-3.497?(2)?Å, form coplanar layers. Very weak inter-actions operate also between adjacent layers, as indicated by their spacing of 3.339?(1)?Å.

| S-EPMC2962176 | biostudies-literature

1,1-Dimethyl-hydrazin-1-ium picrate.

Project description:In the title compound, C(2)H(9)N(2) (+)·C(6)H(2)N(3)O(7) (-), the dihedral angles between the mean planes of the three nitro groups and the benzene ring are 63.5?(3), 10.5?(2) and 10.4?(2)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into a two-dimensional network parallel to (001).

| S-EPMC3201381 | biostudies-other

2-(4-Sulfamoylphen-yl)hydrazin-1-ium chloride.

Project description:The hydrazinium residue in the cation of the title salt, C(6)H(10)N(3)O(2)S(+)·Cl(-), is twisted out of the plane of the benzene ring to which it is attached [N-N-C-C torsion angle = 25.9?(2)°] and the amino group is almost perpendicular to the benzene ring [N-S-C-C torsion angle = 88.71?(16)°]. In the crystal, the cations are linked by N-H?O hydrogen bonds and ?-? inter-actions [ring centroid distance = 3.7280?(11)?Å], forming layers in the bc plane that are connected by N-H?Cl hydrogen bonds.

| S-EPMC3344085 | biostudies-other

4-(4-Carboxy-benz-yl)-1-methyl-piperazin-1-ium picrate.

Project description:The title compound, C(13)H(19)N(2)O(2) (+)·C(6)H(2)N(3)O(7) (-), is a salt obtained by cocrystallization of 4-[(4-methyl-piperazin-1-yl)meth-yl]benzoic acid and picric acid. The cations adopt an 'L-shaped' conformation and are linked into chains along [010] by O-H?N hydrogen bonds. The NH group of each piperazinium ring forms a hydrogen bond to the phenolate O atom of a picrate anion, and the picrate anions form face-to-face contacts with an inter-planar separation of 3.023?(1)?Å.

| S-EPMC2968640 | biostudies-literature

3-Carboxy-pyrazino[2,3-f][1,10]phenanthrolin-9-ium-2-carboxyl-ate.

Project description:In the title zwitterionic compound, C(16)H(8)N(4)O(4), the dihedral angle between the carboxyl and carboxyl-ate groups is 72.14 (2)°. In the crystal, mol-ecules are linked by strong inter-molecular O-H⋯O(-) and N(+)-H⋯O(-) hydrogen bonds into double chains extended along [001]. These chains are additionally stabilized by π-π stacking inter-actions between the pyridine and benzene rings [centroid-centroid distance = 3.5542 (8) Å].

| S-EPMC2983978 | biostudies-literature

(1S,2S)-2-Carboxy-1-(3-pyridiniometh-yl)pyrrolidin-1-ium dichloride hemihydrate.

Project description:In the title mol-ecule, C(11)H(16)N(2)O(2) (2+)·2Cl(-)·0.5H(2)O, all N atoms are protonated. In the crystal structure, the organic cation and Cl(-) ions are linked by N-H?Cl and O-H?Cl hydrogen bonds, forming a one-dimensional infinite ribbon extending parallel to the (110) plane.

| S-EPMC2959231 | biostudies-literature

1-(5-Carboxy-pent-yl)-2,3,3-trimethyl-3H-indol-1-ium bromide monohydrate.

Project description:In the title compound, C(17)H(24)NO(2) (+)·Br(-)·H(2)O, the pentyl group chain in the cation extends nearly perpendicular [N-C-C-C = -64.4?(3)°] to the mean plane of the indole ring with the carboxyl end group twisted such that the dihedral angle between the mean planes of the indole and carb-oxy groups measures 43.2?(4)°. Both ions in the salt form inter-molecular hydrogen bonds (O-H?Br and O-H?O) with the water mol-ecule. As a result of the Br?H-O-H?Br inter-actions, a zigzag chain is formed in the c-axis direction. The crystal packing is influenced by the collective action of the O-H?O and O-H?Br inter-molecular inter-actions as well as ?-? stacking inter-molecular inter-actions between adjacent benzyl rings of the indole group [centroid-centroid distance = 3.721?(13)?Å] and inter-molecular C-H?? inter-actions between a methyl hydrogen and the benzyl ring of the indole group. The O-H?Br inter-actions form a distorted tetra-hedral array about the central Br atom. A MOPAC AM1 calculation provides support to these observations.

| S-EPMC2980276 | biostudies-literature

1-Carboxy-methyl-2-ethyl-4-methyl-1H-imidazol-3-ium chloride monohydrate.

Project description:In the title compound, C(8)H(13)N(2)O(2) (+)·Cl(-)·H(2)O, the methyl C atom of the ethyl group is slightly out of the imidazole plane, with an N-C(ring)-C-C torsion angle of -15.1?(2)°. In the crystal structure, there are strong inter-molecular hydrogen-bonding inter-actions between the solvent water mol-ecule, the free chloride anion and the organic cation, resulting in a two-dimensional supra-molecular network in the ab plane.

| S-EPMC2977760 | biostudies-literature

4-[(E)-2-(2,4-Dichloro-benzyl-idene)hydrazin-1-yl]quinolin-1-ium chloride monohydrate.

Project description:In the title hydrated salt, C(16)H(12)Cl(2)N(3) (+)·Cl(-)·H(2)O, there is a small twist in the cation as seen in the torsion angle linking the benzene ring to the rest of the mol-ecule [171.96?(17)°]. In the crystal, the quinolinium H atom forms a hydrogen bond to the lattice water mol-ecule, which also forms hydrogen bonds to two Cl(-) anions. Each Cl(-) ion also accepts a hydrogen bond from the hydrazine H atom. The three-dimensional architecture is also stabilized by ?-? inter-actions between centrosymmetrically related quinoline residues [centroid-centroid distance = 3.5574?(11)?Å].

| S-EPMC3344163 | 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