Search results for "intermolecular interaction"

showing 2 items of 32 documents

The Effect of the Side Chain on Gelation Properties of Bile Acid Alkyl Amides

2021

Abstract Six bile acid alkyl amide derivatives were studied with respect to their gelation properties. The derivatives were composed of three different bile acids with hexyl or cyclohexyl side chains. The gelation behaviour of all six compounds were studied for 36 solvents with varying polarities. Gelation was observed mainly in aromatic solvents, which is characteristic for bile‐acid‐based low molecular weight gelators. Out of 108 bile acid‐solvent combinations, a total of 44 gel systems were formed, 28 of which from lithocholic acid derivatives, only two from deoxycholic acid derivatives, and 14 from cholic acid derivatives. The majority of the gel systems were formed from bile acids with…

geelitintermolecular interactionssupramolecular gelssolvent influenceCholic AcidAmidesBile Acids and Saltssappihapotamiditbile acid amidessupramolekulaarinen kemiaLithocholic AcidGelsResearch ArticlesröntgenkristallografiaResearch ArticleX-ray crystallography
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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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