Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N'-[(E)-1-(5-Chloro-2-hy-droxy-phen-yl)ethyl-idene]pyridine-3-carbohydrazide monohydrate.

ABSTRACT: In the title compound, C(14)H(12)ClN(3)O(2)·H(2)O, the benzene ring and the pyridine rings are oriented at a dihedral angle of 57.73 (12)° and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal, the water mol-ecule forms O-H⋯O and O-H⋯N hydrogen bonds to the organic mol-ecule, leading to chains containing R(4) (4)(16) loops. In addition, weak aromatic π-π stacking inter-actions between the centroids of pyridine rings [at distance of 3.864 (2) and 4.013 (2) Å] and C-H⋯π inter-actions occur.

SUBMITTER: Hussain A

PROVIDER: S-EPMC3006986 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

N'-[1-(2-Hy-droxy-phen-yl)ethyl-idene]thio-phene-2-carbohydrazide.

Project description:The title compound, C(13)H(12)N(2)O(2)S, was prepared by the reaction of 1-(2-hy-droxy-phen-yl)ethanone and thio-phene-2-carbohydrazide. The dihedral angle between the benzene and thio-phene rings is 10.07?(17)°. An intra-molecular O-H?N hydrogen bond may influence the mol-ecular conformation. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into chains along [010].

| S-EPMC3050207 | biostudies-literature

N'-[(E)-1-(2-Hy-droxy-phen-yl)ethyl-idene]pyrazine-2-carbohydrazide.

Project description:The title compound, C13H12N4O2, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. Mol-ecule B is planar to within 0.044?(3)?Å for all non-H atoms, while mol-ecule A is slightly twisted, with a dihedral angle of 6.29?(4)° between the mean planes of the pyrazine-2-carbohydrazide and 1-(2-hy-droxy-phen-yl)ethanone moieties (r.m.s. deviations = 0.0348 and 0.0428?Å, respectively). S(5) and S(6) ring motifs are formed in both mol-ecules due to the presence of intra-molecular O-H?N and N-H?N hydrogen bonds. In the crystal, mol-ecules A and B are linked by a C-H?O hydrogen bond. They stack along the a-axis direction, forming columns with ?-? inter-actions involving inversion-related pyrazine and benzene rings [centroid-centroid distances = 3.5489?(13)-3.8513?(16)?Å].

| S-EPMC3884444 | biostudies-literature

2-Cyano-N'-[1-(2-hy-droxy-phen-yl)ethyl-idene]acetohydrazide monohydrate.

Project description:The title compound, C(11)H(11)N(3)O(2)·H(2)O, was obtained by the reaction of 2-acetyl-phenol with cyano-acetohydrazide in methanol. The asymmetric unit contains two hydrazone mol-ecules and two water mol-ecules of crystallization. There is an intra-molecular O-H?N hydrogen bond in each hydrazone mol-ecule. The crystal structure is stabilized by inter-molecular N-H?O, O-H?O and O-H?N hydrogen bonds.

| S-EPMC3247401 | biostudies-literature

2-Hy-droxy-ethyl-ammonium [2-(2,6-di-chloro-anilino)phen-yl]acetate monohydrate.

Project description:In the solid-state structure of the title compound derived from diclofenac, C2H8NO+·C14H10Cl2NO2 -·H2O, the asymmetric unit contains one cation, one anion and a water mol-ecule, all in general positions. A complex network of hydrogen bonds is present in the crystal structure.

| S-EPMC9462027 | biostudies-literature

N'-[(E)-2-Hy-droxy-5-meth-oxy-benzyl-idene]pyridine-4-carbohydrazide monohydrate.

Project description:The title compound, C14H13N3O3·H2O, adopts an E conformation with respect to the azomethine bond and crystallizes in the amide form. An intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, the lattice water molecule plays a major role in the supramolecular architecture by interconnecting adjacent molecules into a three-dimensional netwrok by means of O-H⋯O, O-H⋯N and N-H⋯O hydrogen-bonding inter-actions. The structure also features two non-classical C-H⋯O inter-actions.

| S-EPMC3685038 | biostudies-literature

4-Hy-droxy-N'-[1-(2-hy-droxy-phen-yl)ethyl-idene]benzohydrazide.

Project description:In the title compound, C(15)H(14)N(2)O(3), there is an intra-molecular O-H?N hydrogen bond and the dihedral angle between the two aromatic rings is 13.9?(3)°. In the crystal structure, mol-ecules are stabilized by inter-molecular O-H?O and N-H?O hydrogen bonds.

| S-EPMC2979514 | biostudies-literature

N'-[(E)-1-(5-Bromo-2-hy-droxy-phen-yl)ethyl-idene]-2-chloro-benzohydrazide.

Project description:The title compound, C(15)H(12)BrClN(2)O(2), was synthesized by the condensation of 1-(5-bromo-2-hy-droxy-phen-yl)ethanone with 2-chloro-benzohydrazide in anhydrous ethanol. The Schiff base mol-ecule displays a trans configuration with respect to the C=N double bond. The dihedral angle between the two benzene rings is 13.74?(3)°. The mol-ecular conformation is stabilized by an intra-molecular O-H?N and the crystal structure by inter-molecular N-H?O hydrogen bonds.

| S-EPMC3239010 | biostudies-literature

N'-[(E)-1-(2-Fluoro-phen-yl)ethyl-idene]pyridine-4-carbohydrazide.

Project description:The title compound, C14H12FN3O, adopts an E conformation with respect to the azomethine bond. The pyridyl and fluoro-benzene rings make dihedral angles of 38.58?(6) and 41.61?(5)° respectively with the central C(=O)N2CC unit, resulting in a non-planar mol-ecule. The inter-molecular inter-actions comprise two classical N-H?O and N-H?N hydrogen bonds and four non-classical C-H?O and C-H?F hydrogen bonds. These inter-actions are augmented by a weak ?-? inter-action between the benzene and pyridyl rings of neighbouring mol-ecules, with a centroid-centroid distance of 3.9226?(10)?Å. This leads to a three-dimensional supra-molecular assembly in the crystal system. The F atom is disordered over two sites in a 0.559?(3): 0.441?(3) ratio, through a 180° rotation of the fluoro-benzene ring.

| S-EPMC4011257 | biostudies-literature

N'-[(1E)-1-(2-Fluoro-phen-yl)ethyl-idene]pyridine-3-carbohydrazide.

Project description:The title compound, C14H12FN3O, adopts an E conformation with respect to the azomethine double bond whereas the N and methyl C atoms are in a Z conformation with respect to the same bond. The ketonic O and azomethine N atoms are cis to each other. The non-planar mol-ecule [the dihedral angle between the benzene rings is 7.44 (11)°] exists in an amido form with a C=O bond length of 1.221 (2) Å. In the crystal, a bifurcated N-H⋯(O,N) hydrogen bond is formed between the amide H atom and the keto O and imine N atoms of an adjacent mol-ecule, leading to the formation of chains propagating along the b-axis direction. Through a 180° rotation of the fluoro-phenyl ring, the F atom is disordered over two sites with an occupancy ratio of 0.632 (4):0.368 (4).

| S-EPMC3998283 | biostudies-literature

{5-Chloro-2-[(2-hy-droxy-benzyl-idene)amino]-phen-yl}(phen-yl)methanone.

Project description:The title Schiff base compound, C(20)H(14)ClNO(2), adopts an E configuration about the azomethine bond. The phenol and chloro-benzene rings form dihedral angles of 84.71?(9) and 80.70?(8)°, respectively, with the phenyl ring and are twisted by 15.32?(8)° with respect to one another. The mol-ecular conformation is stabilized by an intra-molecular O-H?N hydrogen bond, which forms an S(6) ring motif. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming columns parallel to the a axis.

| S-EPMC3239075 | 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