Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-(4-ethoxyphenyl)-3-hydroxyprop-2-en-1-one, C₁₆H₁₈N₂O₃

Abstract

CCDC no.: 1486472The asymmetric unit of the title crystal structure is shown in the gure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters. Source of materialTo a mixture of ethyl-1,5-dimethyl-1-H-pyrazole-3-carboxylate (2.02 g; 12.01 mmol) and metallic sodium (0.35 g; 15.21 mmol) in 50 mL of anhydrous toluene was added

β-Keto-enol Tethered Pyridine and Thiophene: Synthesis, Crystal Structure Determination and Its Organic Immobilization on Silica for Efficient Solid-Liquid Extraction of Heavy Metals

“…Nevertheless, in present conditions, the reaction leads to formation in 95% yield of the isomer shown in Figure 2. The same observation was noted for our other keto-enol derivatives recently postponed [21][22][23][24][25]. …”

Novel β-keto–enol Pyrazolic Compounds as Potent Antifungal Agents. Design, Synthesis, Crystal Structure, DFT, Homology Modeling, and Docking Studies

“…In continuation of our recent works in the field of the synthesis of novel β-keto–enol heterocyclic derivatives through efficient and simple routes and of the study of their biological activities, ,− we report in the present investigation on the synthesis and the properties of a novel series of pyrazoles with the β-keto–enol functionality as powerful moieties especially in fungal activity. To the best of our knowledge, this is the first real study aimed at developing diversified structures of keto–enol pyrazoles.…”

“…Accordingly, our previously prepared products were exclusively obtained in the -keto-enol tautomer form, governed by the resonance driving force, as confirmed by XRD. [22][23][24][25][26][27] Herein, as proved by its crystal structure determined from the X-ray diffraction study, compound 10 was also found to exist with the -keto-enol tautomer form.…”

“…The bonds lengths and angles in the molecule are comparable to those found in previous works for other similar compounds. [22][23][24][25][26][27]46 Molecular packing in the monoclinic lattice is such that molecules superimpose along the a and b axes as shown by the projections given in Figure 3 against one fungal strain (Fusarium oxysporum f.sp albedinis) by the agar diffusion method. Surprisingly, the antimicrobial assay revealed that all the screened compounds possessed very weak or no antibacterial effect against all used strains.…”

“…The method has experienced rapid growth and many improvements over the last two decades and the number of publications associated with molecular docking studies has increased enormously. 21 In continuation of our recent works in the field of the synthesis of novel -keto-enol heterocyclic derivatives through efficient and simple routes and of the study of their biological activities, 17,[22][23][24][25][26][27][28][29][30][31] we report in the present investigation on the synthesis and the properties of a novel series of pyrazoles with the -keto-enol functionality as powerful moieties especially in fungal activity. To the best of our knowledge, this is the first real study aiming to develop diversified structures of keto-enol pyrazoles.…”