Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(4-Amino-phen-yl)-1-phenyl-diazenium 2,4,6-trinitro-phenolate.

ABSTRACT: In the title salt, C(12)H(12)N(3) (+)·C(6)H(2)N(3)O(7) (-), the diazenyl group of the 4-(phenyl-diazen-yl)aniline mol-ecule is protonated and forms a hydrogen bond with the phenolate O-atom acceptor of the picrate anion. Structure extension occurs through two symmetrical inter-ion three-centre amine N-H⋯O,O'(nitro) hydrogen-bonding associations [graph set R(1) (2)(4)], giving a convoluted two-dimensional network structure.

SUBMITTER: Smith G

PROVIDER: S-EPMC3099948 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2,4,6-Trinitro-N-[4-(phenyl-diazen-yl)phen-yl]aniline.

Project description:The title compound, C(18)H(12)N(6)O(6), was prepared from the reaction of 4-(phenyl-diazen-yl)aniline (aniline yellow) with picryl-sulfonic acid. The dihedral angle formed by the two benzene rings of the diphenyl-diazenyl ring system is 6.55?(13)° and that formed by the rings of the picrate-aniline ring system is 48.76?(12)°. The mol-ecule contains an intra-molecular aniline-nitro N-H?O hydrogen bond.

| S-EPMC3099790 | biostudies-literature

Morpholinium 2,4,6-trinitro-phenolate.

Project description:There are two independent formula units in the asymmetric unit of the title compound, C(4)H(10)NO(+)·C(6)H(2)N(3)O(7) (-). The morpholinium cations in both mol-ecules are puckered and adopt a chair conformation. Intermolecular N-H?O and C-H?O inter-actions generate rings of motifs R(2) (1)(5) and R(1) (2)(6). The supra-molecular aggregation is completed by the presence of two co-operative hydrogen-bonded networks of further N-H?O inter-actions, which generate an infinite one-dimensional chain along the base vector [100]. Two C-H?? interactions are also seen.

| S-EPMC2968070 | biostudies-literature

1,2-Bis(2,4,6-trinitro-phen-yl)ethane.

Project description:The title compound, C(14)H(8)N(6)O(12), is centrosymmetric, the mid-point of the central C-C bond being located on an inversion centre. Two of the three independent nitro groups are disordered over two sites, with a site-occupancy ratio of 0.513 (3):0.487 (3). Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC3247438 | biostudies-literature

N,N-Dimethyl-anilinium 2,4,6-trinitro-phenolate.

Project description:In the title compound, C(8)H(12)N(+)·C(6)H(2)N(3)O(7) (-), there are N-H?O and C-H?O inter-actions which generate R(2) (1)(5), R(2) (1)(6) and R(1) (2)(6) ring motifs. The supra-molecular aggregation is completed by the presence of edge-to-face and offset face-to-face ?-? inter-actions with centroid-centroid distances of 3.673 and 3.697?Å, respectively.

| S-EPMC2968034 | biostudies-literature

4-(4-Chloro-phen-yl)-1-[3-(4-fluoro-benzo-yl)prop-yl]-4-hydroxy-piperidin-1-ium 2,4,6-trinitro-phenolate (haloperidol picrate).

Project description:In the title salt, C(21)H(24)ClFNO(2) (+)·C(6)H(2)N(3)O(7) (-), the dihedral angle between the aromatic rings in the cation is 16.5?(1)°. The piperidium ring adopts a slightly distorted chair conformation. Strong hydrogen-bonding inter-actions occur between the N-H and O-H functions of the 4-hydroxy-piperidin-1-ium ring and the phenolate and p-NO(2) O atoms of the picrate anion. In addition, a variety of weak C-H?O and ?-? ring inter-actions between cations and cation-anion neighbors [centroid-centroid distances = 3.597?(1) and 3.848?(10)?Å] further consolidate the packing.

| S-EPMC2970318 | biostudies-literature

2,4,6-Trinitro-phenyl benzoate.

Project description:In the title mol-ecule, C13H7N3O8, the phenyl and benzene rings are rotated from the mean plane of the central ester group by 18.41 (9) and 81.80 (5)°, respectively. The dihedral angle between the rings is 80.12 (14)°. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, forming helical chains along [010].

| S-EPMC3589064 | biostudies-literature

1,4-Diazo-niabicyclo-[2.2.2]octane bis-(2,4,6-trinitro-phenolate).

Project description:In the title compound, C(6)H(14)N(2) (2+)·2C(6)H(2)N(3)O(7) (-), the cation possesses crystallographically imposed twofold rotation symmetry. In the crystal structure, the cation and anions are linked into a trimeric aggregate by inter-molecular N-H⋯O hydrogen bonds. The trimeric units are further connected by π-π inter-actions [centroid-centroid distances = 3.507 (2)-3.660 (3) Å], forming layers parallel to the bc plane.

| S-EPMC3006919 | biostudies-literature

Tris(1H-benzimidazol-3-ium-2-ylmeth-yl)amine tris-(2,4,6-trinitro-phenolate) acetonitrile disolvate.

Project description:In the cation of the title salt, C(24)H(24)N(7) (3+)·3C(6)H(2)N(3)O(7) (-)·2C(2)H(3)N, the three benzimidazolium ring systems are oriented to each other at dihedral angles of 10.42 (7), 23.98 (7) and 22.17 (7)°. In the crystal, the cation links to the adjacent picrate anions via N-H⋯O hydrogen bonds; one of independent acetonitrile solvent mol-ecules is also linked to the cation via an N-H⋯N hydrogen bond.

| S-EPMC3379477 | biostudies-literature

(R,R)-1-Acetyl-1'-(2,4,6-trinitro-phen-yl)-2,2'-bipyrrolidine.

Project description:The structure of the title mol-ecule, C16H19N5O7, is mainly determined by the steric effect of a bulky 2,4,6-trinitro-phenyl group attached to the N atom of a pyrrolidine ring. Both pyrrolidine rings adopt an envelope conformation, with one of the methylene C atoms as the flap in each case, and the N-C-C-N torsion angle along the bond connecting the two pyrrolidine rings is -174.9?(2)°. The benzene ring of the 2,3,5-trinitro-phenyl substituent is deformed and the r.m.s. deviation of its six atoms from the best plane is 0.026?Å. The N atoms of the two nitro groups in the ortho positions deviate from the best plane of the benzene ring by -0.033?(5) and 0.385?(5)?Å. These groups, as well as the pyrrolidine ring, are twisted relative to the aromatic ring in the same direction, their best planes forming dihedral angles of 30.2?(2), 64.8?(1) and 46.6?(2)°, respectively, with the ring. An intra-molecular C-H?O hydrogen bond occurs. In the crystal, there is a short [O?C = 3.019?(4)?Å] contact between a nitro O atom and a C atom of the benzene ring bearing the nitro group and a C-H?O inter-action between a methyl H atom and another nitro O atom.

| S-EPMC3588260 | biostudies-literature

2,4,6-Trinitro-phenyl 4-methyl-benzoate.

Project description:In the title compound, C(14)H(9)N(3)O(8), the benzene rings form a dihedral angle of 69.02?(5)°. The central ester group is rotated by 25.86?(9)° relative to the p-tolyl group. In the crystal, the mol-ecules are linked by C-H?O inter-actions into helical chains along [010].

| S-EPMC3515213 | 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