Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Eth-oxy-2-hy-droxy-benzaldehyde 2,4-di-nitro-phenylhydrazone N,N-di-methyl-formamide monosolvate.

ABSTRACT: The Schiff base of the title compound, C(15)H(14)N(4)O(6)·C(3)H(7)NO, was obtained from the condensation reaction of 3-eth-oxy-2-hy-droxy-benzaldehyde and 2,4-dinitro-phenyl-hydrazine. The dihedral angle between the benzene rings is 3.05 (10)° and intra-molecular N-H⋯O and O-H⋯O hydrogen bonds generate S(6) and S(5) ring motifs, respectively. In the crystal, the Schiff base and dimethyl-formamide solvent mol-ecules are linked by an O-H⋯O hydrogen bond.

SUBMITTER: Zhao LX

PROVIDER: S-EPMC3007826 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-Eth-oxy-2-hy-droxy-benzaldehyde 2,4-di-nitro-phenylhydrazone N,N-di-methyl-formamide monosolvate.

Zhao Lin-Xiu LX Cui Jian-Lan JL Cao Duan-Lin DL

Acta crystallographica. Section E, Structure reports online 20100804 Pt 9

The Schiff base of the title compound, C(15)H(14)N(4)O(6)·C(3)H(7)NO, was obtained from the condensation reaction of 3-eth-oxy-2-hy-droxy-benzaldehyde and 2,4-dinitro-phenyl-hydrazine. The dihedral angle between the benzene rings is 3.05 (10)° and intra-molecular N-H⋯O and O-H⋯O hydrogen bonds generate S(6) and S(5) ring motifs, respectively. In the crystal, the Schiff base and dimethyl-formamide solvent mol-ecules are linked by an O-H⋯O hydrogen bond. ...[more]

PMID: 21588577

Similar Datasets

(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

N'-[(E)-4-Benz-yloxy-2-hy-droxy-benzyl-idene]-4-nitro-benzohydrazide di-methyl-formamide monosolvate.

Project description:The title compound, C21H17N3O5·C3H7NO, exists in an E conformation with respect to the azomethine double bond of the hydrazide mol-ecule. This mol-ecule contains an intra-molecular O-H⋯N hydrogen bond, while an inter-molecular N-H⋯O hydrogen bond links the hydrazide to the formamide mol-ecule of solvation. Nonclassical C-H⋯O inter-molecular hydrogen bonds build up a supra-molecular architecture, together with two C-H⋯π inter-actions and a weak π-π inter-action, with a centroid-centroid distance of 3.650 (13) Å.

| S-EPMC3770421 | biostudies-literature

2-Eth-oxy-6-{[1-(3-eth-oxy-2-hy-droxy-benz-yl)-1H-benzimidazol-2-yl]meth-yl}phenol nitro-methane monosolvate.

Project description:In the title solvate, C(24)H(24)N(2)O(4)·CH(3)NO(2), the benzene ring of the 2-eth-oxy-6-methyl-phenol substituent is approximately perpendicular to the nearly planar benzimidazole ring [maximum deviation = 0.021?(2)?Å], making a dihedral angle of 84.32?(7)°. The benzene ring of the 2-eth-oxy-phenol group is somewhat inclined to the benzimidazole ring plane by 28.03?(5)°. The dihedral angle between the benzene rings is 82.20?(9)°. The compound reveals strong intra-molecular O-H?N and O-H?O hydrogen bonds, forming six- and five-membered rings, respectively. In the crystal, mol-ecules are connected by bifurcated O-H?(O,O) hydrogen bonds, forming chains along the b axis.

| S-EPMC3379470 | biostudies-literature

Crystal structure of N'-[(E)-3,5-di-chloro-2-hy-droxy-benzyl-idene]-4-nitro-benzo-hydrazide di-methyl-formamide monosolvate.

Project description:In the title compound, C14H9Cl2N3O4·C3H7NO, the hydrazone mol-ecule adopts an E conformation with respect to azomethine bond, and the dihedral angle between the two aromatic rings [8.96 (11)°] shows that the rings are almost co-planar. The planar conformation of the mol-ecule is stabilized by the intra-molecular O-H⋯N hydrogen bond involving the OH group and azomethine N atom. The azomethine and keto bond distances [1.269 (2) and 1.210 (2) Å, respectively] are very close to the formal C=N and C=O bond lengths. The di-methyl-formamide solvent mol-ecule is connected to the hydrazone NH group via an N-H⋯O hydrogen bond. In the crystal, non-classical C-H⋯O and C-H⋯Cl hydrogen bonds link the mol-ecules into chains along [322]. A supra-molecular three-dimensional architecture is created by weak C-Cl⋯π [4.163 (3) Å, 83.26 (9)°] and π-π [centroid-centroid distance = 4.0395 (14) Å] inter-actions.

| S-EPMC4645068 | biostudies-literature

2-Hy-droxy-3-nitro-benzaldehyde.

Project description:The title compound, C(7)H(5)NO(4), isolated from the leaves of Actephila merrilliana, is essentially planar (r.m.s. deviation = 0.026 Å). The conformation is supported by an intra-molecular O-H⋯O hydrogen bond, which generates an S(6) ring. In the crystal, C-H⋯O inter-actions and aromatic π-π stacking [centroid-centroid distance = 3.754 (4) Å] help to establish the packing.

| S-EPMC3007554 | biostudies-literature

Crystal structure of 4-(2-hy-droxy-3-meth-oxy-benzyl-amino)-benzoic acid di-methyl-formamide monosolvate monohydrate.

Project description:The title compound, C15H15NO4·C3H7NO·H2O, a secondary amine mol-ecule, is accompanied by one equivalent of water and one equivalent of di-methyl-formamide (DMF) as solvents. The mol-ecule is non-planar, with a Car-yl-CH2-NH-Car-yl torsion angle of -66.3 (3)°. In the crystal, O-H⋯O and N-H⋯O hydrogen-bonding inter-actions between the amine mol-ecules and the two types of solvent mol-ecule result in the formation of a layered structure extending parallel to (010).

| S-EPMC6505596 | biostudies-literature

2,4-Di-chloro-N-[eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]benzamide.

Project description:In the title compound, C12H14Cl2N2O2S, the mol-ecule adopts a cis conformation with respect to the di-chloro-benzoyl group against the thiono group about the C-N bond. However, the di-chloro-benzene group and the thio-urea moiety are twisted by 75.41?(8)°. An intra-molecular N-H?O hydrogen bond occurs between the amido H atom and hydroxyl O atom. In the crystal, O-H?S and O-H?O hydrogen bonds link the molecules, forming chains along the b-axis direction.

| S-EPMC3914078 | biostudies-literature

N,N'-Bis(4-hy-droxy-phen-yl)pyridine-2,6-dicarboxamide di-methyl-formamide monosolvate.

Project description:The mol-ecular structure of the pyridine derivative, C19H15N3O4·C3H7NO, shows almost planar geometry with dihedral angles of 6.9 (1) and 13.4 (1)° between the pyridine ring and the two benzene rings. This conformation is stabilized by two intra-molecular N-H⋯N(pyridine) bonds. In the crystal, strong O-H⋯O(carboxamide) and N-H⋯O(hy-droxy-phen-yl) hydrogen bonds link the mol-ecules, forming a three-dimensional structure. The di-methyl-formamide solvent mol-ecules are not involved in the hydrogen bonding. The structure shows pseudosymmetry, but refinement in the space group Pbcn leads to significantly worse results and a disordered di-methyl-formamide mol-ecule.

| S-EPMC3685123 | biostudies-literature

Crystal structure of 4-hy-droxy-3-meth-oxy-benzaldehyde 4-methyl-thio-semi-carbazone methanol monosolvate.

Project description:In the title solvate, C15H15N3O2S·CH3OH, the thio-semicarbazone mol-ecule is approximately planar; the maximum deviation from the mean plane is 0.4659 (14) Å and the dihedral angle between the aromatic rings is 9.83 (8)°. This conformation is supported by an intra-molecular N-H⋯N hydrogen bond. In the crystal, the thio-semicarbazone mol-ecules are linked into dimers by pairs of N-H⋯S hydrogen bonds, thereby generating R 2 (2)(8) loops. The methanol solvent mol-ecule bonds to the thio-semicarbazone mol-ecule through a bifurcated O-H⋯(O,O) hydrogen bond and also accepts an O-H⋯O link from the thio-semicarbazone mol-ecule. Together, these links generate a three-dimensional network.

| S-EPMC4420048 | biostudies-literature

4-(2-Hy-droxy-eth-oxy)phenol.

Project description:The asymmetric unit of the title compound, C8H10O3, contains four mol-ecules, which differ in the orientation of the hy--droxy-ethyl group [O-C-C-O torsion angles = -168.89 (17), 72.9 (2), -65.8 (2) and 71.8 (2)°], as well as the orientation of the hy-droxy H atoms. Furthermore, the crystal structure displays two different types of strong hydrogen bond. The first is between an alcohol O-H and another alcohol O atom, and the second between an alcohol O-H group and an ether O atom. Additional weak hydrogen bonds between C-H groups and ether O atoms stabilize the structure.

| S-EPMC3793793 | 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