Synthesis, crystal structure, Hirshfeld surface analysis and halogen-involving interactions in a bromo/chloro-substituted Schiff base 1-(3-bromo-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)methanimine.

Crystal structure, intermolecular interactions, Hirshfeld surface analysis, theoretical studies and biological evaluation of (E)-5-(benzyloxy)-2-{[(2,5-dimethoxyphenyl)imino]methyl}phenol, a new Schiff base.

Results indicate an enzyme-dependent inhibitory profile rather than uniformly superior activity relative to the reference inhibitors, and quantum theory of atoms in molecules (QTAIM) analysis was performed to characterize selected intra- and intermolecular interactions.

Structural, Hirshfeld Surface and Spectral Analyses of (E)-1,5-dimethyl-4-((4-(octyloxy)benzylidene)amino)-2-phenyl-1H-pyrazol-3(2H)-one

Chemoselective Cyclization of 3-Phenyl-2-propynenitrile with 2-Pyridylselenenyl Chloride: Synthesis and Crystal Structure

The reaction of 2-pyridylselenenyl chloride with 3-phenyl-2-propynenitrile proceeds under mild conditions to afford 3-(phenylethynyl)-[1,2,4]selenadiazolo[4,5-a]pyridin-4-ium chloride in 81% yield. The transformation exhibits exclusive chemoselectivity for the C≡N bond over the C≡C triple bond. The molecular structure...

Synthesis, Crystal Structure, Hirshfeld Surface, Vibrational Thermal Analyses, and NLO Properties of a New Hybrid Material: 2,4-Diamino-6-Phenyl-1,3,5-Triazinium Perchlorate, Supported by DFT Calculations

A novel organic–inorganic ionic crystal 2,4-diamino-6-phenyl-1,3,5-triaziniumperchlorate (C9H10N5+·ClO4−) was synthesized via the reaction of benzoguanamine with perchloric acid. Its structure was affined by single-crystal XRD and characterized by UV-Vis and FT-IR spectroscopies. It crystallizes in a monoclinic system,...

Synthesis, Crystal Structure, Unusual Non-covalent Interaction, and Hirshfeld Surface of 2-(2,2,3,3,3-Pentafluoropropoxy) Ethylammonium Iodide Salt

Crystal structure and supramolecular assembly of a hydrogen-bonded cocrystal of 2-fluoro-N-(pyrrolidine-1-carbonothioyl)benzamide and 1,3,5-triazinane-2,4,6-trithione

An unexpected 1:1 cocrystal of 2-fluoro-N-(pyrrolidine-1-carbonothioyl)benzamide and 1,3,5-triazinane-2,4,6-trithione (trithiocyanuric acid, TTCA) was isolated during an attempted synthesis of the single-component benzoylthiourea derivative and characterized by single-crystal X-ray diffraction. The compound crystallize...