Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-{(E)-1-[2-(4-Nitro-phen-yl)hydrazin-1-yl-idene]eth-yl}benzene-1,3-diol.

ABSTRACT: The title compound, C(14)H(13)N(3)O(4), is close to planar, the dihedral angle between the terminal benzene rings being 5.80?(16)°; the nitro group is coplanar with the benzene ring to which it is bonded [O-N-C-C torsion angle = -177.3?(3)°]. The hy-droxy group forms an intra-molecular hydrogen bond with the imine N atom, and the conformation about the imine bond is E. In the crystal, layers in the (101) plane with an undulating topology are formed by O-H?O and N-H?O hydrogen bonds along with C-H?O inter-actions. Centrosymmetrically related layers are connected via ?-? inter-actions [ring centroid-centroid distance = 3.5739?(19)?Å] into double layers.

SUBMITTER: Howie RA

PROVIDER: S-EPMC3295468 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-{(E)-1-[2-(4-Nitro-phen-yl)hydrazin-1-yl-idene]eth-yl}benzene-1,3-diol.

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

Acta crystallographica. Section E, Structure reports online 20120210 Pt 3

The title compound, C(14)H(13)N(3)O(4), is close to planar, the dihedral angle between the terminal benzene rings being 5.80 (16)°; the nitro group is coplanar with the benzene ring to which it is bonded [O-N-C-C torsion angle = -177.3 (3)°]. The hy-droxy group forms an intra-molecular hydrogen bond with the imine N atom, and the conformation about the imine bond is E. In the crystal, layers in the (101) plane with an undulating topology are formed by O-H⋯O and N-H⋯O hydrogen bonds along with C- ...[more]

PMID: 22412579

Similar Datasets

2-{(E)-1-[2-(2-Nitro-phen-yl)hydrazin-1-yl-idene]eth-yl}benzene-1,3-diol mono-hydrate.

Project description:The hydrazone mol-ecule in title monohydrate, C(14)H(13)N(3)O(4)·H(2)O, is almost coplanar, the dihedral angle between the terminal benzene rings being 3.22 (15)°; the nitro group is coplanar with the benzene ring to which it is bonded [O-N-C-C = -2.8 (4)°]. The hy-droxy group forms an intra-molecular hydrogen bond with the imine N atom, and the conformation about the imine bond [1.305 (3) Å] is E. In the crystal, supra-molecular layers in the (203) plane are connected into a double layer via water-nitro O-H⋯O hydrogen bonds, along with π-π inter-actions [ring centroid-centroid distance = 3.7859 (19) Å].

| S-EPMC3295529 | biostudies-literature

1-[2-(2-Bromo-phen-yl)eth-yl]-4-chloro-2-nitro-benzene.

Project description:In the title mol-ecule, C(14)H(11)BrClNO(2), the dihedral angle between the mean planes of the bromo-substitued benzene and the chloro-substituted benzene rings is 1.8?(4) °. The nitro group is twisted by 15.8?(6)° from the mean plane of the benzene ring to which it is attached. The crystal packing is influenced by weak inter-molecular C-H?O inter-actions and weak ?-? stacking inter-actions [centroid-centroid distances = 3.903?(2), 3.596?(2) and 3.903?(2)?Å].

| S-EPMC3011469 | biostudies-literature

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

Project description: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.

| S-EPMC2979791 | biostudies-literature

1-Eth-oxy-2-meth-oxy-4-[2-(4-nitro-phen-yl)ethen-yl]benzene.

Project description:In the title mol-ecule, C(17)H(17)NO(4), the dihedral angle between the two aromatic rings is 42.47 (7)°. The nitro group is twisted by 7.44 (11)° out of the plane of the ring to which it is attached. The methoxy and ethoxy group O atoms deviate significantly from the phenyl ring [by 0.0108 (11) and 0.0449 (11) Å, respectively]. The crystal structure is stabilized by C-H⋯π inter-actions.

| S-EPMC3435807 | biostudies-literature

threo-2-(2,6-Dimethoxy-phen-oxy)-1-(4-eth-oxy-3-methoxy-phen-yl)propane-1,3-diol.

Project description:In the crystal structure of the title compound, C(20)H(26)O(7), a lignin model compound, the asymmetric unit contains two mol-ecules which adopt almost identical overall conformations with some deviation in the region of the terminal hydroxyl groups. The two mol-ecules are linked by an inter-molecular O-H?O hydrogen bond. They also develop intra-molecular O-H?O hydrogen bonds.

| S-EPMC2969663 | biostudies-literature

Crystal structure of 4-((1E)-1-{(2Z)-2-[4-(4-bromo-phen-yl)-3-phenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]hydrazin-1-yl-idene}eth-yl)phenol hemihydrate.

Project description:In the title compound, C23H18BrN3OS·0.5H2O, the bromo-phenyl, phenyl and phenol rings make dihedral angles of 46.5?(1), 66.78?(8) and 15.4?(2)°, respectively, with the mean squares plane of the thia-zol-idene ring. In the crystal, the lattice water mol-ecule is hydrogen bonded to the phenol group and makes a weaker O-H?N connection to an inversion-related mol-ecule, forming a ring while weak pairwise C-H?S inter-actions involving inversion-related mol-ecules form a second ring. Both these motifs result in the formation of two-dimensional networks lying parallel to (10-1).

| S-EPMC4257180 | biostudies-literature

2-((1E)-1-{2-[(2Z)-4-(4-Bromo-phen-yl)-3-phenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]hydrazin-1-yl-idene}eth-yl)pyridin-1-ium bromide monohydrate.

Project description:In the title hydrated molecular salt, C22H18BrN4S(+)·Br(-)·H2O, the aromatic rings make dihedral angles of 14.20 (12), 34.29 (10) and 68.75 (11)° with the thia-zole ring. In the crystal, mol-ecules are linked into chains running parallel to the a axis by association of the bromide ions and the water mol-ecules of crystallization with the cations via N-H⋯O, O-H⋯Br, C-H⋯N and C-H⋯Br hydrogen-bonding inter-actions. C-H⋯π and C-Br⋯π [3.7426 (11) Å, 161.73 (7)°] inter-actions are also observed, forming infinite chains extending along the b-axis direction.

| S-EPMC3998394 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-di-phenyl-propan-2-yl-idene)hydrazin-yl]-5-nitro-2-oxido-benzene-sulfonate dihydrate.

Project description:In the anion of the title hydrated salt, C2H10N22+·C21H13N3O8S2-·2H2O, the planes of the phenyl rings and the benzene ring of the 5-nitro-2-oxido-benzene-sulfonate group are inclined to one another by 44.42?(11), 56.87?(11) and 77.70?(12)°. In the crystal, the anions are linked to the cations and the water mol-ecules by N-H?O and O-H?O hydrogen bonds, forming a three-dimensional network. Furthermore, there are face-to-face ?-? stacking inter-actions between the centroids of one phenyl ring and the benzene ring of the 5-nitro-2-oxido-benzene-sulfonate group [centroid-centroid distance = 3.8382?(13)?Å and slippage = 1.841?Å]. A Hirshfeld surface analysis was conducted to verify the contributions of the different inter-molecular inter-actions.

| S-EPMC6038648 | 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

(Z)-1-(2-Chloro-phen-yl)-3-methyl-4-[2-(4-nitro-phen-yl)hydrazin-1-yl-idene]-1H-pyrazol-5(4H)-one.

Project description:There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(16)H(12)ClN(5)O(3). The relative orientations of the chloro-phenyl ring with respect to the pyrazole ring in the two crystallographically independent mol-ecules are different, and their corresponding dihedral angles are -53.3?(2) and 114.09?(18)° in mol-ecules A and B, respectively. There are two strong intramolecular N-H?O hydrogen bonds, and two weak intramolecular C-H?O and C-H?Cl hydrogen bonds. The crystal packing is constructed by weak C-H?O and N-H?O inter-actions, and two ?-? stacking inter-actions [centroid-centroid distances = 3.7894?(9) and 3.5719?(10)?Å], forming a mol-ecular ladder along the a axis.

| S-EPMC3414286 | 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