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X-Ray powder diffraction data for a new pirazoline compound

Gerzon, Delgado and Pilar, Delgado Niño and Lobaton, Robert and Liew, Suk Ming and Jamalis, Joazaizulfazli (2019) X-Ray powder diffraction data for a new pirazoline compound. Periodico Tche Quimica, 16 (33). pp. 524-529. ISSN 1806-0374

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Pyrazolines are important agents in medicinal chemistry as a promising scaffold for structural modification and drug development studies due to their wide range of biological activities such as anticancer, antifungal, antibacterial, antidepressant, anticonvulsant, antitubercular, antioxidant, antileishmanial and antiinflammatory activity. These heterocyclic compounds can be prepared by refluxing chalcone with hydrazine hydrate and anhydrous sodium acetate in the presence of glacial acetic acid. The structural characterization, molecular and crystalline structure, of these organic compounds, allows studying their biological properties to know their potential applications. Hence the use of XRPD is very important because it allows obtaining a record to be used as a method of identification. The aim of this investigation was to obtain and reported good quality X-ray powder diffraction data the pyrazoline compound 1-(3-(4-iodophenyl)-5-(3-methyl thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one, which could be used as potential anti-microbial and anti-cancer agent. The powder pattern was indexed in the monoclinic space group I2/a with unit cell parameters a = 25.440(5) Å, b = 5.124(2) Å, c = 26.261(6) Å, β = 105.75(2)° and figures of merit M20= 38.2 and F20= 66.6 (0.00573, 53). All measured lines were indexed and are consistent with the monoclinic space group. The powder pattern will be included in the Powder Diffraction File database to be used as a reference.

Item Type:Article
Uncontrolled Keywords:Anti-microbial agent, Pyrazoline
Subjects:Q Science > QD Chemistry
ID Code:89484
Deposited By: Widya Wahid
Deposited On:22 Feb 2021 09:47
Last Modified:22 Feb 2021 09:47

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