188 research outputs found
N′-Propylisonicotinohydrazide
In the title compound, C9H11N3O, the crystal structure is stabilized by a bifurcated intermolecular N—H⋯(N,O) hydrogen bond and a C—H⋯O interaction, leading to chains of molecules
4-Hydroxy-N′-(3-nitrobenzylidene)benzohydrazide
The title compound, C14H11N3O4, was obtained by a condensation reaction between 3-nitrobenzaldehyde and 4-hydroxybenzohydrazide. The whole molecule is approximately planar, with a dihedral angle of 9.2 (3)° between the benzene rings. The molecule displays an E conformation about the C=N bond. In the crystal, molecules are linked via N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds, generating sheets parallel to the bc plane
N′-(4-Chlorobenzylidene)-2-hydroxybenzohydrazide
The title molecule, C14H11ClN2O2, adopts a trans configuration with respect to the C=N double bond. An intramolecular N—H⋯O hydrogen bond contributes to molecular conformation and the two benzene rings form a dihedral angle of 17.9 (8)°. In the crystal structure, intermolecular O—H⋯O hydrogen bonds link the molecules into chains running along [10]
(E)-4-Amino-N′-(5-chloro-2-hydroxybenzylidene)benzohydrazide
The title compound, C14H12ClN3O2, displays an E conformation with respect to the C=N double bond. The dihedral angle between the benzene rings is 41.3 (5)°. The molecular structure is stabilized by an intramolecular O—H⋯N hydrogen bond. In the crystal, N—H⋯O and weak N—H⋯Cl hydrogen bonds link the molecules into a three-dimensional architecture. In addition, there are weak C—H⋯π stacking interactions
(E)-N′-(3-Fluorobenzylidene)-2-hydroxybenzohydrazide
The title compound, C14H11FN2O2, adopts an E or trans configuration with respect to the C=N bond. An intramolecular N—H⋯O hydrogen bond contributes to the relatively planarity of the molecular conformation; the two benzene rings are inclined to one another by 12.5 (2)°. In the crystal structure, intermolecular O—H⋯O hydrogen bonds link the molecules into chains running parallel to the c axis
Synthesis, Molecular Docking Studies and ADME Prediction of Some New Albendazole Derivatives as α-Glucosidase Inhibitors
A series of novel 2-(substituted arylidene)-N-(5-(propylthio)-2,3-dihydro-1H-benzo[d]imidazol-2-yl)hydrazine-1-carboxamide derivatives 3a–i were synthesized via condensation of N-(5-(propylthio)-1H-benzo[d]imidazol-2-yl) hydrazinecarboxamide (2), with the corresponding ketone or aldehydes. The chemical structures of the compounds prepared were confirmed by analytical and spectral data. The compounds were screened for their α-glucosidase inhibitory activity and all of them showed better inhibition than acarbose, except 3h. In particular, compound 3a proved to be the most active compound among all synthetic derivatives having IC50 value 12.88±0.98 μM. Also, molecular docking studies were carried out for the compounds to figure out the binding interactions. Compound 3a has exhibited the highest binding energy (ΔG = –9.4 kcal/mol) and the most hydrogen bond interactions with active sites. Eventually, in silico studies were in good agreement with in vitro studies
(E)-2-Chloro-N′-(2-hydroxy-1-naphthylmethylene)benzohydrazide
In the structue of the title compound, C18H13ClN2O2, a new Schiff base, the dihedral angle between the benzene and naphthyl ring system mean planes is 22.5 (2)°. The molecule has an E configuration about the C=N bond, and an intramolecular hydrogen bond involving the hydoxyl substituent on the naphthyl ring and the N′ atom of the hydrazide. The crystal structure is stabilized by intermolecular N—H⋯O hydrogen bonds, forming one-dimensional chains running parallel to the a axis
4-(4-Chlorophenyl)-1-(2-hydroxy-2,2-diphenylacetyl)thiosemicarbazide
The asymmetric unit of the title compound, C21H18ClN3O2S, contains two molecules in which the bond lengths and angles are almost identical. Intramolecular N—H⋯S hydrogen bonds result in the formation of two five-membered rings. In the crystal structure, intermolecular N—H⋯O hydrogen bonds link the molecules into centrosymmetric dimers; these dimers are linked via intermolecular O—H⋯S hydrogen bonds, leading to infinite corrugated layers parallel to the bc plane through R
2
2(16) ring motifs
(R)-1-(4-Bromobenzoyl)-4-(1-phenylpropyl)thiosemicarbazide
The title compound, C17H18BrN3OS, is an important intermediate for the synthesis of biologically active heterocyclic compounds. The thiourea group is approximately planar. The crystal structure is stabilized by intermolecular N—H⋯O hydrogen-bonding interactions
(E)-N′-(3,4-Dihydroxybenzylidene)-4-nitrobenzohydrazide
In the title Schiff base compound, C14H11N3O5, the dihedral angle between the two benzene rings is 1.6 (1)°. The molecule displays an E configuration about the C=N bond. An intramolecular O—H⋯O hydrogen bond is observed. In the crystal, molecules are linked into layers parallel to (101) by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds. One of the hydroxyl groups is disordered over two positions, with occupancies of 0.643 (5) and 0.357 (5)
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