Browse
Submit Data
Databases
API
Help

Dataset Information

12 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,2-Bis(2,4-di-nitro-phen-yl)disulfane.

ABSTRACT: In the title mol-ecule, C12H6N4O8S2, the dihedral angle between the benzene rings is 77.00?(8)°. The mean planes of the nitro groups are twisted slightly from the benzene rings, forming dihedral angles in the range 2.3?(2)-8.6?(3)°. The S-S bond length is 2.0458?(7)?Å. Each S atom is essentially coplanar with the benzene ring to which it is attached, with deviations from the ring planes of 0.0163?(5) and 0.0538?(5)?Å. In the crystal, mol-ecules are linked through weak C-H?O hydrogen bonds, forming a two-dimensional network parallel to (001).

SUBMITTER: Muthulakshmi S

PROVIDER: S-EPMC3648327 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1,2-Bis(2,4-di-nitro-phen-yl)disulfane.

Muthulakshmi Selvarasu S Kalaivani Doraisamyraja D

Acta crystallographica. Section E, Structure reports online 20130430 Pt 5

In the title mol-ecule, C12H6N4O8S2, the dihedral angle between the benzene rings is 77.00 (8)°. The mean planes of the nitro groups are twisted slightly from the benzene rings, forming dihedral angles in the range 2.3 (2)-8.6 (3)°. The S-S bond length is 2.0458 (7) Å. Each S atom is essentially coplanar with the benzene ring to which it is attached, with deviations from the ring planes of 0.0163 (5) and 0.0538 (5) Å. In the crystal, mol-ecules are linked through weak C-H⋯O hydrogen bonds, formi ...[more]

PMID: 23723947

Similar Datasets

N'-(2,4-Di-nitro-phen-yl)acetohydrazide monohydrate.

Project description:In the crystal structure of the title compound, C8H8N4O5·H2O, the organic and lattice water mol-ecules are linked together via N-H?O and O-H?O hydrogen bonds. A C-H?O inter-action is also observed between the organic mol-ecules. These hydrogen bonds and inter-actions lead to the formation of a three-dimensional network. An intra-molecular N-H?O hydrogen bond also occurs. The dihedral angle between the acetyl group and the almost planar hydrazide moiety [maximum deviation from the least-squares plane is 0.209?(2)?Å for one of the nitro O atoms] is 88.5?(3)°.

| S-EPMC3793750 | biostudies-literature

1,2-Bis(2-nitro-phen-yl)disulfane.

Project description:In the title compound, C(12)H(8)N(2)O(4)S(2), the dihedral angle between the two benzene rings is 67.82?(9)°. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules.

| S-EPMC2971076 | biostudies-literature

(1E)-1-(3-Bromo-phen-yl)ethanone 2,4-di-nitro-phenyl-hydrazone.

Project description:The title compound, C(14)H(11)BrN(4)O(4), contains 3-bromo-phenyl and 2,4-dinitro-phenyl groups on opposite sides of a hydrazone unit and crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the two ring systems in each mol-ecule are 2.0 (1) and 2.5 (4)°. Weak C-H⋯O hydrogen bonds and weak π-π stacking inter-actions [centroid-centroid distance = 3.7269 (14) Å] help to establish the packing. Intra-molecular N-H⋯O hydrogen bonds are also observed. On one of the rings, the Br atom is disordered over two equivalent positions of the phenyl ring [occupancy ratio 0.8734 (10):0.1266 (10).

| S-EPMC3008979 | biostudies-literature

1-[(E)-Anthracen-9-yl-methyl-idene]-2-(2,4-di-nitro-phen-yl)hydrazine.

Project description:In the title Schiff base, C21H14N4O4, the dihedral angle between the two nitro groups and the central benzene ring are 83.6?(5) and 2.6?(6)°. The anthracene ring system and the benzene ring make a dihedral angle of 0.7?(2)°. Intra-molecular N-H?O and C-H?N hydrogen bonds occur. In the crystal, C-H?O hydrogen bonds link the mol-ecules, forming chains along the b-axis direction.

| S-EPMC3648239 | biostudies-literature

Isotypic crystal structures of 2,6-di-bromo-N,N-bis-(4-nitro-phen-yl)aniline and 2,6-di-chloro-N,N-bis-(4-nitro-phen-yl)aniline.

Project description:In the mol-ecules of the two isotypic title compounds, C18H11Br2N3O4 (I) and C18H11Cl2N3O4 (II), the tri-phenyl-amine N atoms show no sign of pyramidalization, with marginal displacements of the N atoms from the mean plane of the three connecting C atoms: 0.0058?(13)?Å for the Br compound (I) and 0.0074?(9)?Å for the Cl compound (II). In the crystals, mol-ecules are linked through C-H?O hydrogen bonds between phenyl rings and nitro groups and by X?O (X = Br, Cl) inter-actions, that are shorter than the sum of the van der Waals radii, leading to a three-dimensional network.

| S-EPMC4158496 | biostudies-literature

(1E,2E)-1,2-Bis[1-(3-nitro-phen-yl)ethyl-idene]hydrazine.

Project description:The asymmetric unit of the title compound, C(16)H(14)N(4)O(4), contains one half-mol-ecule of (nitro-phen-yl)ethanimine and the complete mol-ecule is generated by a crystallographic inversion centre. The mol-ecule has an E conformation with respect to each C=N double bond. The central C=N-N=C plane is twisted from the benzene rings with a dihedral angle of 24.76?(11)°. In the crystal, C-H?O inter-actions link the molecules to form sheets that lie parallel to (10-4).

| S-EPMC3295435 | biostudies-literature

N,N'-Bis(3-nitro-benzyl-idene)-2,2'-[2-(3-nitro-phen-yl)imidazolidine-1,3-di-yl]diethanamine.

Project description:The title compound, C(27)H(27)N(7)O(6), a Schiff base, was synthesized by the reaction of triethyl-enetetra-mine with 3-nitro-benzealdehyde. There are two independent mol-ecules in the asymmetric unit. The central aromatic ring in one mol-ecule makes dihedral angles of 23.99?(7) and 20.06?(6)° with the two terminal rings; for the second mol-ecule, these angles are 26.14?(6) and 24.64?(6)°.

| S-EPMC2983619 | biostudies-literature

2,2'-[(1S,2S)-1,2-Bis(2-hy-droxy-phen-yl)ethane-1,2-di-yl]bis(isoindoline-1,3-dione) ethanol monosolvate hemihydrate.

Project description:In the title compound, C30H20N2O6·C2H6O·0.5H2O, the solvent water mol-ecule lies on a twofold rotation axis. The dihedral angle between the essentially planar isoindole ring systems [maximum deviations = 0.028?(1) and 0.022?(1)?Å] is 47.12?(5)°. The dihedral angle between the benzene rings is 81.32?(7)°. In the crystal, the components are linked into a three-dimensional network via O-H?O hydrogen bonds.

| S-EPMC3588493 | biostudies-literature

Crystal structures of three 1-oxo-1,2-di-hydro-naphthalene derivatives: dimethyl 4-(4-meth-oxy-phen-yl)-2-(4-methyl-phen-yl)-1-oxo-1,2-di-hydro-naphthalene-2,3-di-carboxyl-ate, dimethyl 1-oxo-2-(pyren-4-yl)-4-(thio-phen-2-yl)-1,2-di-hydro-naphthalene-2,3-di-carboxyl-ate and ethyl 1-oxo-2-phenyl-2,4-bis-(thio-phen-2-yl)-1,2-di-hydro-naphthalene-3-carboxyl-ate.

Project description:In the title 1-oxo-1,2-di-hydro-naphthalene derivatives, C28H24O6, (I), C34H22O5S, (II), and C27H20O3S2, (III), the cyclo-hexa-1,3-diene rings of the 1,2-di-hydro-naphthalene ring systems adopt half-chair, boat and half-chair conformations, respectively. The carbonyl O atoms attached to the di-hydro-naphthalene ring systems are each significantly deviated from the mean plane of the 1,2-di-hydro-naphthalene ring system, by 0.6162?(12)?Å in (I), 0.6016?(16)?Å in (II) and 0.515?(3)?Å in (III). The mean planes of the 1,2-di-hydro-naphthalene ring systems make dihedral angles of 85.83?(3), 88.19?(3) and 81.67?(8)°, respectively, with the methyl-phenyl ring in (I), the pyrene ring in (II) and the phenyl ring in (III). In (I), the mol-ecular structure is stabilized by an intra-molecular C-H?O hydrogen bond, generating an S(6) ring motif. In the crystal of (I), mol-ecules are linked by an inter-molecular C-H?O hydrogen bond, which generates a C(8) zigzag chain running along [100]. Adjacent chains are further connected by C-H?? and offset ?-? inter-actions [centroid-centroid distance = 3.6572?(9)?Å], forming a double-chain structure. In the crystals of (II) and (III), mol-ecules are linked into chain structures by offset ?-? inter-actions with centroid-centroid distances of 3.5349?(12) and 3.8845?(13)?Å for (II) and 3.588?(2)?Å for (III). In (II) and (III), the thio-phene rings are orientationally disordered over two sites, with occupancy ratios of 0.69:0.31 for (II), and 0.528?(4):0.472?(4) and 0.632?(5):0.368?(5) for (III).

| S-EPMC5290560 | biostudies-literature

Crystal structure of di-?-hydroxido-bis{[N,N'-bis-(2,6-di-methyl-phen-yl)pentane-2,4-diiminato(1-)]zinc}.

Project description:The title compound, [Zn2(C21H25N2)2(OH)2], is a binuclear zinc complex formed by two bidentate ?-diketiminate (nacnac) ligands and two ?-hydroxide O atoms, bridging two mononuclear units into a centrosymmetric dimeric unit. Each Zn(2+) cation is coordinated by two N-donor atoms from the nacnac ligand and two O-donor atoms of hydroxide anions to give a distorted tetra-hedral coordination environment. The Zn-O bond lengths are 1.9643?(13) and 2.0022?(14)?Å, and the two Zn-N bond lengths are 1.9696?(14) and 1.9823?(14)?Å. The distance between the two Zn(2+) cations in the dimer is 2.9420?(4)?Å. Although hydroxide groups are present in the complex, no classical hydrogen-bonding inter-ations are observed because of the bulky ?-diketiminate ligands.

| S-EPMC4186180 | 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