Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Amino-anilinium picrate.

ABSTRACT: In the title compound, C(6)H(9)N(2) (+)·C(6)H(2)N(3)O(7) (-), the three nitro groups of the anion are twisted from the central benzene ring at dihedral angles of 5.4?(1), 27.1?(1) and 32.9?(1)°. In the crystal, inter-molecular N-H?O, N-H?(O,O) and N-H?N hydrogen bonds link the cations and anions into layers parallel to the bc plane.

SUBMITTER: Peng R

PROVIDER: S-EPMC3011732 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Amino-anilinium picrate.

Peng Rong R Zhao Yanping Y

Acta crystallographica. Section E, Structure reports online 20101120 Pt 12

In the title compound, C(6)H(9)N(2) (+)·C(6)H(2)N(3)O(7) (-), the three nitro groups of the anion are twisted from the central benzene ring at dihedral angles of 5.4 (1), 27.1 (1) and 32.9 (1)°. In the crystal, inter-molecular N-H⋯O, N-H⋯(O,O) and N-H⋯N hydrogen bonds link the cations and anions into layers parallel to the bc plane. ...[more]

PMID: 21589524

Similar Datasets

3-Bromo-anilinium picrate.

Project description:In the title compound, C(6)H(7)BrN(+)·C(6)H(2)N(3)O(7) (-), the O atoms of two of the nitro groups are disordered over two sites, the ratios of the refined occupancies being 0.72?(6):0.28?(6) and 0.74?(5):0.26?(5). In the crystal structure, the anions and cations are linked via inter-molecular N-H?O hydrogen bonds into chains along [100]. Further stabilization is provided by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2971793 | biostudies-literature

3-Chloro-4-fluoro-anilinium picrate.

Project description:In the title picrate salt of a dihalogenated aniline derivative, C(6)H(6)ClF(+)·C(6)H(2)N(3)O(7) (-), the intra-cyclic C-C-C angles in the picrate anion cover a broad range [111.95 (12)-125.38 (13)°], while those in the aromatic cation span a much narrower range [118.25 (14)-122.33 (13)°]. In the crystal, classical N-H⋯O hydrogen bonds, as well as C-H⋯O contacts, connect the ions into layers parallel to (001).

| S-EPMC3569773 | biostudies-literature

4-Amino-pyridinium picrate.

Project description:In the title compound, C(5)H(7)N(2) (+)·C(6)H(2)N(3)O(7) (-), the 4-amino-pyridinium cation is essentially planar (r.m.s. deviation = 0.002?Å). The three nitro groups in the picrate anion are twisted away from the attached benzene ring [dihedral angles = 24.1?(1), 9.3?(3) and 21.4?(1)°]. In the crystal structure, the ions are linked into a three-dimensional network by N-H?O and C-H?O hydrogen bonds.

| S-EPMC2984070 | biostudies-literature

2-Amino-pyridinium picrate.

Project description:In the title compound, C(5)H(7)N(2) (+)·C(6)H(2)N(3)O(7) (-), there are two crystallographically independent cations and anions (A and B) in the asymmetric unit. In both picrate anions, one of the nitro groups lies in the plane of the benzene ring [r.m.s. deviations = 0.014?(2) and 0.014?(2)?Å for anions A and B, respectively] and the other two are twisted away by 39.0?(2) and 18.8?(2)° in A, and 18.2?(1) and 2.5?(2)° in B. In the crystal, the cations and anions are linked by inter-molecular N-H?O and C-H?O hydrogen bonds, forming a two-dimensional network.

| S-EPMC3006739 | biostudies-literature

3-Amino-pyridinium picrate.

Project description:During the formation of the title compound, C(5)H(7)N(2) (+)·C(6)H(2)N(3)O(7) (-), a phenolic proton is transferred to the pyridine N atom. In the crystal structure, the ions are linked by inter-molecular N-H⋯O and N-H⋯(O,O) hydrogen bonds into layers running parallel to (100). These layers are connected by weak π-π stacking inter-actions between symmetry-related pyridine and picric benzene rings with a centroid-centroid distance of 3.758 (2) Å, forming a three-dimensional network.

| S-EPMC2983382 | biostudies-literature

2-Amino-pyrimidinium picrate.

Project description:The geometric parameters of the title compound, C(4)H(6)N(3) (+)·C(6)H(2)N(3)O(7) (-), are in the usual ranges. While two nitro groups are almost coplanar with the aromatic picrate ring [dihedral angles 3.0 (2) and 4.4 (3)°], the third is significantly twisted out of this plane [dihedral angle 46.47 (8)°]. Anions and cations are connected via N-H⋯O hydrogen bonds. The mol-ecules crystallize in planes parallel to (11).

| S-EPMC2915188 | biostudies-literature

2-Amino-anilinium benzoate.

Project description:In the crystal of the title molecular salt, C(6)H(9)N(2) (+)·C(7)H(5)O(2) (-), the cations and anions are linked by N-H?O hydrogen bonds, buiding an R(2) (2)(9) ring. Futher N-H?O hydrogen bonds generate chains, which develop parallel to the a axis through the formation of R(4) (3)(10) rings..

| S-EPMC3011433 | biostudies-literature

2-Amino-anilinium 2-chloro-acetate.

Project description:In the crystal structure of the title compound, C(6)H(9)N(2) (+)·ClCH(2)COO(-), prepared by the reaction of OPDA (orthophenelynediamine) with chloro-acetic -acid, N-H?O hydrogen bonds generate ladder-like chains and very weak inter-molecular C-H?Cl hydrogen-bonding inter-actions between the anions and cations lead to a supra-molecular network. C-H?O inter-actions also occur.

| S-EPMC3007232 | biostudies-literature

2-Amino-anilinium 6-carb-oxy-picolinate monohydrate.

Project description:In the title compound, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-)·H(2)O, one amino group of diamino-benzene is protonated while one carb-oxy group of pyridine-2,6-dicarb-oxy-lic acid is deprotonated. In the anion, the CO(2) and CO(2)H groups make dihedral angles of 4.0?(5) and 8.7?(4)° with the pyridine ring. In the crystal, extensive N-H?O, N-H?N and O-H?O hydrogen bonds occur between anions, cations and water mol-ecules.

| S-EPMC3212287 | biostudies-literature

2-Amino-4-meth-oxy-6-methyl-pyrimidin-1-ium picrate.

Project description:In the title salt, C(6)H(10)N(3)O(+)·C(6)H(2)N(3)O(7) (-), the dihedral angle between the mean planes of the benzene and pyridine rings is 3.1?(1)°. In the cation, the meth-oxy group is almost coplanar with the pyridine ring [C-O-C-N = -0.6?(2)°]. The p-nitro [C-C-N-O = -1.17?(19)°] and one o-nitro [C-C-N-O = 1.83?(19)°] group in the anion are essentially coplanar with the benzene ring. The other disordered o-nitro group containing the major occupancy [0.868?(6)] O atom is twisted -29.0?(2)° from the mean plane of the benzene ring. A bifurcated N-H?(O.O) hydrogen bond and weak C-H?O intermolecular inter-action between the cation and anion produce a network of infinite O-H?O-H?O-H chains along the c axis in the [101] plane which helps to establish crystal packing. Comparison to a DFT computational calculation indicates that significant conformational changes occur in the free state.

| S-EPMC2979045 | 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