Preparation, crystal structure, supramolecular assembly, and DFT studies of two organic salts bearing pyridine and pyrimidine
The effective preparation of two new pyrimidine-and pyridine-based organic crystalline salts
with substituted acidic moieties (ie,(Z)-4-(naphthalen-2-ylamino)-4-oxobut-2-enoic acid …
with substituted acidic moieties (ie,(Z)-4-(naphthalen-2-ylamino)-4-oxobut-2-enoic acid …
Spectral investigation, TD-DFT study, Hirshfeld surface analysis, NCI-RDG, HOMO-LUMO, chemical reactivity and NLO properties of 1-(4-fluorobenzyl)-5 …
N Boukabcha, A Benmohammed… - Journal of Molecular …, 2023 - Elsevier
In a previous study, the 1-(4-fluorobenzyl)-5-bromolindolin-2, 3‑dione (FBID) molecule was
synthesized by adding isatin and K 2 CO 3 to acetonitrile, followed by the addition of 4 …
synthesized by adding isatin and K 2 CO 3 to acetonitrile, followed by the addition of 4 …
Synthesis, structural, and intriguing electronic properties of symmetrical bis-aryl-α, β-unsaturated ketone derivatives
Three symmetrical bis-aryl-α, β-unsaturated ketone derivatives, 2, 6-di ((E)-benzylidene)-
cyclohexan-1-one (DBC), 2, 6-bis ((E)-4-chlorobenzylidene) cyclohexan-1-one (BCC), and …
cyclohexan-1-one (DBC), 2, 6-bis ((E)-4-chlorobenzylidene) cyclohexan-1-one (BCC), and …
[HTML][HTML] Efficient synthesis of imine-carboxylic acid functionalized compounds: Single crystal, Hirshfeld surface and quantum chemical exploration
Two aminobenzoic acid based crystalline imines (HMBA and DHBA) were synthesized
through a condensation reaction of 4-aminobenzoic acid and substituted benzaldehydes …
through a condensation reaction of 4-aminobenzoic acid and substituted benzaldehydes …
Synthesis of crystalline fluoro-functionalized imines, single crystal investigation, Hirshfeld surface analysis, and theoretical exploration
This investigation is focused on the synthesis of two halo-functionalized crystalline Schiff
base (imine) compounds:(E)-2-methoxy-6-(((3-(trifluoromethyl) phenyl) imino) methyl) …
base (imine) compounds:(E)-2-methoxy-6-(((3-(trifluoromethyl) phenyl) imino) methyl) …
Synthesis, spectroscopic characterization, single crystal XRD, Hirshfeld Surface analysis and theoretical studies (DFT) of 4-adamantyl-(2-(substitutedbenzylidene) …
In present work, two novel adamantyl based thiazoles were synthesized via simple
cyclization reaction of 1-(substitutedbenzylidene) thiosemicarbazides (2) and 1-adamantyl …
cyclization reaction of 1-(substitutedbenzylidene) thiosemicarbazides (2) and 1-adamantyl …
Sulfonamide derived Schiff base Mn (II), Co (II), and Ni (II) complexes: Crystal structures, density functional theory and Hirshfeld surface analysis
Shehnaz, WA Siddiqui, A Ashraf… - Applied …, 2023 - Wiley Online Library
The three transition metal complexes of the ligand named as 2, 4‐dibromo‐6‐{[2‐(1, 1‐dioxo‐
1H‐benzoisothiazole‐3‐yl‐amino)‐ethylimino]‐methyl}‐phenol 3 were synthesized with …
1H‐benzoisothiazole‐3‐yl‐amino)‐ethylimino]‐methyl}‐phenol 3 were synthesized with …
Structural elucidation, solvent (polar and non-polar) effect on electronic characterization, non-covalent charge interaction nature, topology and pharmacological …
Reaction of l-arginine (l-Arg) with methanesulfonic acid (l-ArgH)(CH 3 SO 3) in aqueous
solution was investigated. The method of synthesis of (l-ArgH)(CH 3 SO 3) was …
solution was investigated. The method of synthesis of (l-ArgH)(CH 3 SO 3) was …
[HTML][HTML] Rational synthesis, biological screening of azo derivatives of chloro-phenylcarbonyl diazenyl hydroxy dipyrimidines/thioxotetrahydropyrimidines and their …
Herein, a new series of azo ligands HL-1 (5-(2-chloro-6-(phenylcarbonyl) phenyl) diazenyl)-
6-hydroxydihydropyrimidines-2, 4dione), HL-2 (5-(2-chloro-6-(phenylcarbonyl) phenyl) …
6-hydroxydihydropyrimidines-2, 4dione), HL-2 (5-(2-chloro-6-(phenylcarbonyl) phenyl) …
Single-crystal investigation, Hirshfeld surface analysis, and DFT study of third-order NLO properties of unsymmetrical acyl thiourea derivatives
In the current research work, unsymmetrical acyl thiourea derivatives, 4-((3-
benzoylthioureido) methyl) cyclohexane-1-carboxylic acid (BTCC) and methyl 2-(3 …
benzoylthioureido) methyl) cyclohexane-1-carboxylic acid (BTCC) and methyl 2-(3 …