Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Tiekink ER

PROVIDER: S-EPMC2980149 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Tiekink Edward R T ER Wardell James L JL Wardell Solange M S V SM

Acta crystallographica. Section E, Structure reports online 20091219 Pt 1

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 con ...[more]

PMID: 21580076

Similar Datasets

1-(2,4-Di-nitro-phen-yl)-2-[(E)-2,4,5-tri-meth-oxy-benzyl-idene]hydrazine.

Project description:The title compound, C16H16N4O7, is close to being planar, with a dihedral angle of 3.15?(11)° between the benzene rings. The meth-oxy groups at the ortho- and para-positions of the 2,4,5-tri-meth-oxy-phenyl group are almost coplanar with the ring [deviations of the C atoms = 0.017?(2) and -0.025?(2)?Å, respectively], whereas the meta-meth-oxy group deviates slightly [C-atom displacement = 0.162?(2)?Å]. Both the ortho- and para-nitro groups are close to being coplanar with their attached ring [dihedral angles = 7.81?(12) and 8.56?(11)°, respectively]. An intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds involving the same H atom as the intra-molecular bond generate R 2 (2)(12) loops. The dimers are linked by weak C-H?O inter-actions into sheets parallel to the (10-4) plane and the sheets are stacked by ?-? inter-actions, with a centroid-centroid distance of 3.5974?(14)?Å.

| S-EPMC3793714 | biostudies-literature

1-(2,4-Di-nitro-phen-yl)-2-[(E)-(3,4,5-tri-meth-oxy-benzyl-idene)]hydrazine.

Project description:Mol-ecules of the title compound, C16H16N4O7, are not planar with a dihedral angle of 5.50 (11)° between the substituted benzene rings. The two meta-meth-oxy groups of the 3,4,5-tri-meth-oxy-benzene moiety lie in the plane of the attached ring [Cmeth-yl-O-C-C torsion angles -0.1 (4)° and -3.7 (3)°] while the para-meth-oxy substituent lies out of the plane [Cmeth-yl-O-C-C, -86.0 (3)°]. An intra-molecular N-H⋯O hydrogen bond involving the 2-nitro substituent generates an S(6) ring motif. In the crystal structure, mol-ecules are linked by weak C-H⋯O inter-actions into screw chains, that are arranged into a sheet parallel to the bc plane. These sheets are connected by π-π stacking inter-actions between the nitro and meth-oxy substituted aromatic rings with a centroid-centroid separation of 3.9420 (13) Å. C-H⋯π contacts further stabilize the two-dimensional network.

| S-EPMC3998339 | biostudies-literature

1-(2-Meth-oxy-phen-yl)-2-{[2-(2-meth-oxy-phen-yl)hydrazinyl-idene](nitro)-meth-yl}diazene.

Project description:In the title compound, C(15)H(15)N(5)O(4), a nitro-formazan derivative, the formazan unit is essentially planar with an r.m.s. deviation of 0.0204?(6)?Å and adopts a closed syn,s-cis configuration with an intra-molecular N-H?N hydrogen bond. The formazan plane makes dihedral angles of 4.32?(5) and 24.35?(5)° with the benzene rings. The dihedral angle between the formazan plane and the nitro group is 12.58?(8)°. In the crystal, C-H?O inter-actions connect the mol-ecules into an inversion dimer.

| S-EPMC3295411 | biostudies-literature

Methyl 2-meth-oxy-4-{[2-(4-nitro-phen-yl)hydrazinyl-idene]meth-yl}benzoate.

Project description:The mol-ecule of the title Schiff base compound, C(16)H(15)N(3)O(5), obtained from a condensation reaction of 4-acet-oxy-3-meth-oxy-benzaldehyde and 4-nitro-phenyl-hydrazine, adopts an E geometry with respect to the C=N double bond. The mol-ecule is roughly planar, with the two benzene rings twisted slightly with respect to each other by a dihedral angle of 6.90?(9)°. In the crystal, inter-molecular N-H?O hydrogen bonds link centrosymmetrically related pairs of mol-ecules, forming dimers of R(2) (2)(22) graph-set motif. The dimers are further connected through slipped ?-? inter-actions between symmetry-related benzene rings [centroid-centroid distance of 3.646?(1)?Å, offset angle of 15.4°].

| S-EPMC2983317 | biostudies-literature

(E)-1-[2-(Methyl-sulfan-yl)phen-yl]-2-({(E)-2-[2-(methyl-sulfan-yl)phen-yl]hydrazinyl-idene}(nitro)-meth-yl)diazene.

Project description:In the title compound, C(15)H(15)N(5)O(2)S(2), the phenyl rings make dihedral angles of 4.03?(4) and 9.77?(5)° with the plane defined by the central N-N-C-N-N atoms (r.m.s. deviation = 0.010?Å). The C-S-C-C torsion angles of the methyl-sulfanyl groups with their respective phenyl rings are -7.47?(13) and -72.07?(13)°. The shortest centroid-centroid distance of 3.707?Å occurs between the two ?-systems N-N-C-N-N and the benzene ring in the diazene 1-position. The H atom bound to the N atom is involved in intra-molecular N-H?N and N-H?S contacts, while the nitro O atoms are involved in inter-molecular C-H?O contacts.

| S-EPMC3254534 | biostudies-literature

(E)-1-(2,4-Di-nitro-phen-yl)-2-(3-eth-oxy-4-hy-droxy-benzyl-idene)hydrazine.

Project description:The mol-ecule of the title hydrazine derivative, C15H14N4O6, is essentially planar, the dihedral angle between the substituted benzene rings being 2.25?(9)°. The eth-oxy and hy-droxy groups are almost coplanar with their bound benzene ring [r.m.s. deviation = 0.0153?(2)?Å for the ten non-H atoms]. Intra-molecular N-H?O and O-H?Oeth-oxy hydrogen bonds generate S(6) and S(5) ring motifs, respectively. In the crystal, mol-ecules are linked by O-H?Onitro hydrogen bonds into chains propagating in [010]. Weak aromatic ?-? inter-actions, with centroid-centroid distances of 3.8192?(19) and 4.0491?(19)?Å, are also observed.

| S-EPMC3914112 | 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

4-{[2-(2,4-Dinitro-phen-yl)hydrazinyl-idene]meth-yl}phenol ethanol hemisolvate.

Project description:In the title compound, C(13)H(10)N(4)O(5)·0.5C(2)H(5)OH, the two benzene rings form a dihedral angle of 4.29?(9)°. The ethanol solvent mol-ecule was treated as disordered between two orientations related by symmetry (center of inversion), with occupancies fixed at 0.5. The crystal packing, stabilized by inter-molecular O-H?O and N-H?O hydrogen bonds and ?-? inter-actions [indicated by the short distance of 3.7299?(7)?Å between the centroids of benzene rings from neighbouring mol-ecules], exhibits short inter-molecular O?O contacts of 2.8226?(3)?Å.

| S-EPMC3011783 | biostudies-literature

1-(4-Nitro-phen-yl)-2-(3-phenyl-allyl-idene)hydrazine.

Project description:In the title compound, C(15)H(13)N(3)O(2), the nitro-benzene and benzene rings make a dihedral angle of 9.1?(2)°. The crystal structure is consolidated by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2962156 | 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