Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-1-(3-Nitro-phen-yl)-2-({5-[(1E)-2-(3-nitro-phen-yl)hydrazin-1-ylidenemeth-yl]-2-thien-yl}methyl-idene)hydrazine.

ABSTRACT: The title mol-ecule, C(18)H(14)N(6)O(4)S, adopts a U-shape with the aromatic groups lying syn and oriented in the same direction as the thio-phene S atom. Twists away from planarity are evident with the maximum deviation being found for a terminal nitro group: C/C/N/O = 19.0?(3)°. The conformation about each of the C=N bonds is E. In the crystal, centrosymmetrically related mol-ecules are connected via N-H?O(nitro) hydrogen bonds, forming 14-membered {?HNC(3)NO}(2) synthons. These are linked into layers via C-H?O(nitro) inter-actions with the primary inter-actions between layers being of the type C-H??, where the ?-system is the thio-phene ring.

SUBMITTER: de Lima GM

PROVIDER: S-EPMC2979791 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-1-(3-Nitro-phen-yl)-2-({5-[(1E)-2-(3-nitro-phen-yl)hydrazin-1-ylidenemeth-yl]-2-thien-yl}methyl-idene)hydrazine.

de Lima Geraldo M GM Harrison William T A WT Tiekink Edward R T ER Wardell James L JL Wardell Solange M S V SM

Acta crystallographica. Section E, Structure reports online 20100127 Pt 2

The title mol-ecule, C(18)H(14)N(6)O(4)S, adopts a U-shape with the aromatic groups lying syn and oriented in the same direction as the thio-phene S atom. Twists away from planarity are evident with the maximum deviation being found for a terminal nitro group: C/C/N/O = 19.0 (3)°. The conformation about each of the C=N bonds is E. In the crystal, centrosymmetrically related mol-ecules are connected via N-H⋯O(nitro) hydrogen bonds, forming 14-membered {⋯HNC(3)NO}(2) synthons. These are linked int ...[more]

PMID: 21579872

Similar Datasets

(E)-1-Phenyl-2-({5-[(1E)-(2-phenyl-hydrazin-1-yl-idene)meth-yl]-2-thien-yl}methyl-idene)hydrazine.

Project description:The title mol-ecule, C(18)H(16)N(4)S, adopts a U-shape with the aromatic groups lying syn and orientated in the same direction as the thio-phene S atom. The conformation about each of the C=N bonds is E. Overall, the mol-ecule is curved as seen in the dihedral angle of 30.26?(19)° formed between the terminal benzene rings. In the crystal, supra-molecular chains along the c axis are formed by a combination of N-H?N hydrogen bonds and N-H?? inter-actions.

| S-EPMC2983505 | 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

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

1-{(E)-[5-(2-Nitro-phen-yl)furan-2-yl]methyl-idene}-2,2-diphenyl-hydrazine.

Project description:In the title compound, C23H17N3O3, the terminal benzene rings are oriented at dihedral angles of 3.67?(7), 76.02?(7) and 16.37?(7)° with respect to the central furan ring. In the crystal, mol-ecules are connected via weak C-H?O hydrogen bonds, resulting in a three-dimensional supra-molecular array.

| S-EPMC3588390 | biostudies-literature

N'-[5-(4-Nitro-phen-yl)furan-2-yl-methyl-idene]-N,N-diphenyl-hydrazine.

Project description:The title compound, C(23)H(17)N(3)O(3), has an E configuration with respect to the C=N bond. The dihedral angle between the two phenyl rings bonded to the hydrazine group is 86.45?(13)°. The furan ring makes dihedral angles of 3.4?(2) and 7.06?(13)°, respectively, with the methyl-idenehydrazine C=N-N plane and the benzene ring.

| S-EPMC3007491 | biostudies-literature

2-[(1E)-[(Z)-2-({[(1Z)-[(E)-2-[(2-Hy-droxy-phen-yl)methyl-idene]hydrazin-1-yl-idene]({[(4-methyl-phen-yl)meth-yl]sulfan-yl})meth-yl]disulfan-yl}({[(4-methyl-phen-yl)meth-yl]sulfan-yl})methyl-idene)hydrazin-1-yl-idene]meth-yl]phenol: crystal structure, Hirshfeld surface analysis and computational study.

Project description:The complete mol-ecule of the title hydrazine carbodi-thio-ate derivative, C32H30N4O2S4, is generated by a crystallographic twofold axis that bis-ects the di-sulfide bond. The mol-ecule is twisted about this bond with the C-S-S-C torsion angle of 90.70?(8)° indicating an orthogonal relationship between the symmetry-related halves of the mol-ecule. The conformation about the imine bond [1.282?(2)?Å] is E and there is limited delocalization of ?-electron density over the CN2C residue as there is a twist about the N-N bond [C-N-N-C torsion angle = -166.57?(15)°]. An intra-molecular hydroxyl-O-H?N(imine) hydrogen bond closes an S(6) loop. In the crystal, methyl-ene-C-H??(tol-yl) contacts assemble mol-ecules into a supra-molecular layer propagating in the ab plane: the layers stack without directional inter-actions between them. The analysis of the calculated Hirshfeld surfaces confirm the importance of H?H contacts, which contribute 46.7% of all contacts followed by H?C/C?H contacts [25.5%] reflecting, in part, the C-H??(tol-yl) contacts. The calculation of the inter-action energies confirm the importance of the dispersion term and the influence of the stabilizing H?H contacts in the inter-layer region.

| S-EPMC7405575 | biostudies-literature

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

Project description:The title mol-ecule, C(16)H(14)Cl(2)N(2), lies on an inversion center. The dihedral angle between the symmetry-related benzene rings is 0.02?(11)°. The mean plane of the central C(meth-yl)-C=N-N=C-C(meth-yl) unit forms a dihedral angle of 5.57?(12)° with the symmetry-unique benzene ring.

| S-EPMC3239059 | biostudies-literature

(E)-1-(4-Nitro-phen-yl)-2-(4-{[(E)-2-(4-nitro-phen-yl)hydrazinyl-idene]meth-yl}benzyl-idene)hydrazine dihydrate.

Project description:The 30 non-H atoms in title dihydrazine compound, C(20)H(16)N(6)O(4)·2H(2)O, are close to coplanar, the r.m.s. deviation for these atoms being 0.096?Å. The conformation about each of the C=N bonds is E, and the mol-ecule has non-crystallographic 2/m symmetry. The presence of O-H?O and N-H?O hydrogen bonding leads to a three-dimensional network in the crystal structure. A highly disordered solvent mol-ecule is present within a mol-ecular cavity defined by the organic and water mol-ecules. Its contribution to the electron density was removed from the observed data in the final cycles of refinement and the formula, molecular weight and density are given without taking into account the contribution of the solvent molecule.

| S-EPMC2980149 | biostudies-literature

(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(2-nitro-phen-yl)ethyl-idene]hydrazine.

Project description:The title compound, C(14)H(11)N(5)O(6), was obtained from the condensation reaction of 2,4-dinitro-phenyl-hydrazine and 2-nitro-acetophenone. The mol-ecule displays an E conformation about the C=N double bond and an intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. The dihedral angle between the benzene rings is 7.84?(6)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.6447?(8)?Å] into a three-dimensional network.

| S-EPMC3247472 | biostudies-literature

(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(3-nitro-phen-yl)ethyl-idene]hydrazine.

Project description:In the asymmetric unit of the title compound, C(14)H(11)N(5)O(6), there are three crystallographically independent mol-ecules with similar conformations but some differences in bond angles. The mol-ecules are slightly twisted with the dihedral angles between the benzene rings being 10.02?(14), 8.41?(15) and 1.40?(14)°. In each mol-ecule, an intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by weak C-H?O inter-actions into a three-dimensional network. ?-? inter-actions with centroid-centroid distances of 3.5635?(17)-3.8273?(18)?Å are observed.

| S-EPMC3435706 | 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