Search results for "inter­molecular inter­action"

showing 3 items of 3 documents

Crystal structure, Hirshfeld surface analysis and HOMO–LUMO analysis of (E)-N′-(3-hydroxy-4-methoxybenzylidene)nicotinohydrazide monohydrate

2019

The title Schiff base compound displays an E configuration with respect to the C=N double bond. The pyridine and benzene rings subtend a dihedral angle of 29.63 (7)°. In the crystal, the mol­ecules are linked by N—H⋯O, C—H⋯O, O—H⋯O and O—H⋯N hydrogen-bonding inter­actions.

crystal structureSchiff baseCrystallographyintermolecular interactionsSupramolecular chemistryGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsResearch CommunicationsCrystalchemistry.chemical_compoundCrystallographySchiff basechemistryQD901-999PyridineHirshfeld surface analysisGeneral Materials ScienceBenzeneinter­molecular inter­actionsHOMO/LUMOActa Crystallographica Section E: Crystallographic Communications
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Intramolecular 1,5-S...N σ-hole interaction in (E)-N′-(pyridin-4-ylmethylidene)thiophene-2-carbohydrazide

2020

The hydrazide-hydrazone forms inverse dimers via hydrogen bonding, but its conformation is defined by the presence of an intra­molecular chalcogen bond. Electrostatic forces dominate in the crystal packing and give rise to a layered supra­molecular structure.

crystal structurehirshfeld surfaceDouble bondImineStackingCrystal structureCarbohydrazide010402 general chemistryRing (chemistry)01 natural sciencesResearch Communicationsenergy frameworkslcsh:Chemistrychemistry.chemical_compoundchalcogen bondingGeneral Materials Sciencechemistry.chemical_classificationQuantitative Biology::Biomoleculesintermolecular interaction energies010405 organic chemistryHydrogen bondGeneral Chemistryinter­molecular inter­action energieshydrogen bondingCondensed Matter Physics4-pyridinecarboxaldehyde 2-thienyl hydrazone0104 chemical sciencesCrystallographylcsh:QD1-999chemistry4-pyridine­carboxaldehyde 2-thienyl hydrazoneMonoclinic crystal systemActa Crystallographica Section E Crystallographic Communications
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Bis{4-[(2-hydroxy-5-methoxy-3-nitrobenzylidene)amino]phenyl} ether

2020

The mol­ecule of the title oxybis compound lies on a twofold rotational axis. The conformation of the title compound is discussed and compared to those of related structures. In the crystal, mol­ecules of the title compound are assembled into layers parallel to the ab plane through C—H⋯O hydrogen bonds.

crystal structureinter­molecular inter­actionImineEtherCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciencesResearch Communicationschemistry.chemical_compoundGeneral Materials SciencePhysics::Chemical PhysicsBenzeneoxybis schiff baseCrystallographyChemistryHydrogen bondGeneral Chemistryintermolecular interactionCondensed Matter Physics0104 chemical sciencesCrystallographyQD901-999NitroActa Crystallographica Section E Crystallographic Communications
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