0000000001008623

AUTHOR

Bellarmin Edison

showing 2 related works from this author

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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Crystal structure, Hirshfeld surface analysis and HOMO–LUMO analysis of (E)-4-bromo-N′-(4-methoxybenzylidene)benzohydrazide

2018

The title Schiff base compound, C15H13BrN2O2, displays an E configuration with respect to the C=N double bond, which forms a dihedral angle of 58.06 (9)° with the benzene ring. In the crystal, the molecules are linked into chains parallel to the b axis by N—H...O and C—H...O hydrogen bonds, giving rise to rings with an R 2 1(6) graph-set motif. The chains are further linked into a three-dimensional network by C—H...π interactions. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from C...H (33.2%), H...H (27.7%), Br...H/H...Br (14.2%) and O...H/H...O (13.6%) interactions. The title compound has also been characterized by frontier molecu…

crystal structureDouble bondCrystal structureDihedral angle010402 general chemistryRing (chemistry)01 natural sciencesCrystalSchiff basechemistry.chemical_compoundHirshfeld surface analysisGeneral Materials ScienceHOMO/LUMOchemistry.chemical_classificationCrystallographySchiff baseintermolecular interactions010405 organic chemistryHydrogen bondGeneral ChemistryCondensed Matter Physics0104 chemical sciencesCrystallographyHOMO–LUMO calculationchemistryQD901-999Acta Crystallographica Section E Crystallographic Communications
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