Synthesis, characterization, spectroscopic properties and DFT study of a new pyridazinone family

Arrué, Lily; Rey, Marina Fortes; Rubilar-Hernández, Carlos; Correa, Sebastián A.; Molins, Elı́es; Norambuena, Lorena; Zárate, Ximena; Schott, Eduardo

doi:10.1016/j.molstruc.2017.06.004

Cited by 7 publications

(2 citation statements)

References 27 publications

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“…Furthermore, many studies have shown that pyridazinones are good corrosion inhibitors [20] and that they can be used as organic extractants of certain metal ions in the aqueous phase [21] . Due to the numerous biological and therapeutic properties of the pyridazin-3( 2H )-ones, the synthesis and investigation of new pyridazinone derivatives have attracted considerable attention from researchers and have been the subject of many studies such as physical, chemical, spectroscopic, and pharmacological properties [22] , [23] , [24] , [25] . Given the importance of these derivatives, the studies of the geometric and electronic properties of pyridazin-3(2H)-ones are essential to know the influence of different groups on structures to discover the relationship of these groups with their pharmacological properties.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, spectroscopy, crystal structure, TGA/DTA study, DFT and molecular docking investigations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one

Kalai

Çınar

Lai

et al. 2021

Journal of Molecular Structure

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Highlights In this study, the synthesis of (E)−4-(4-methylbenzyl)−6-styrylpyridazin-3(2H)-one (MBSP) is presented. MBSP is subsequently characterized by several spectroscopies and the DFT-B3LYP study. The docking and ADME study are performed to investigate whether MBSP is a therapeutic for COVID-19.

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Section: Introductionmentioning

confidence: 99%

Synthesis, spectroscopy, crystal structure, TGA/DTA study, DFT and molecular docking investigations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one

Kalai

Çınar

Lai

et al. 2021

Journal of Molecular Structure

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“…Multicomponent crystals (molecular salts, cocrystals, solvates, etc.) have attracted attention as potential new functional materials, based on noncovalent interactions (Herbstein, 2005;Boldyreva, 2014;Gavezzotti et al, 2016;Mir et al, 2016;Arrue et al, 2017;Berry & Steed, 2017;Rajkumar & Chandramohan, 2017;Tiekink & Zukerman-Schpector, 2017;Kessentini et al, 2018). Crystal engineering of a multicomponent crystal, i.e.…”

Section: Introductionmentioning

confidence: 99%

The effect of amino acid backbone length on molecular packing: crystalline tartrates of glycine, β-alanine, γ-aminobutyric acid (GABA) andDL-α-aminobutyric acid (AABA)

Losev¹,

Болдырева²

2018

Acta Crystallogr C

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We report a novel 1:1 cocrystal of β-alanine with DL-tartaric acid, CHNO·CHO, (II), and three new molecular salts of DL-tartaric acid with β-alanine {3-azaniumylpropanoic acid-3-azaniumylpropanoate DL-tartaric acid-DL-tartrate, [H(CHNO)]·[H(CHO)], (III)}, γ-aminobutyric acid [3-carboxypropanaminium DL-tartrate, CHNO·CHO, (IV)] and DL-α-aminobutyric acid {DL-2-azaniumylbutanoic acid-DL-2-azaniumylbutanoate DL-tartaric acid-DL-tartrate, [H(CHNO)]·[H(CHO)], (V)}. The crystal structures of binary crystals of DL-tartaric acid with glycine, (I), β-alanine, (II) and (III), GABA, (IV), and DL-AABA, (V), have similar molecular packing and crystallographic motifs. The shortest amino acid (i.e. glycine) forms a cocrystal, (I), with DL-tartaric acid, whereas the larger amino acids form molecular salts, viz. (IV) and (V). β-Alanine is the only amino acid capable of forming both a cocrystal [i.e. (II)] and a molecular salt [i.e. (III)] with DL-tartaric acid. The cocrystals of glycine and β-alanine with DL-tartaric acid, i.e. (I) and (II), respectively, contain chains of amino acid zwitterions, similar to the structure of pure glycine. In the structures of the molecular salts of amino acids, the amino acid cations form isolated dimers [of β-alanine in (III), GABA in (IV) and DL-AABA in (V)], which are linked by strong O-H...O hydrogen bonds. Moreover, the three crystal structures comprise different types of dimeric cations, i.e. (A...A) in (III) and (V), and A...A in (IV). Molecular salts (IV) and (V) are the first examples of molecular salts of GABA and DL-AABA that contain dimers of amino acid cations. The geometry of each investigated amino acid (except DL-AABA) correlates with the melting point of its mixed crystal.

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Facile and novel one-pot three-component synthesis of isatin-thiazoles catalyzed by biogenic iron oxide nanoparticles

Chandrappa

Bodke

Obaih

et al. 2022

Chemical Data Collections

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Synthesis, characterization, spectroscopic properties and DFT study of a new pyridazinone family

Cited by 7 publications

References 27 publications

Synthesis, spectroscopy, crystal structure, TGA/DTA study, DFT and molecular docking investigations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one

Synthesis, spectroscopy, crystal structure, TGA/DTA study, DFT and molecular docking investigations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one

The effect of amino acid backbone length on molecular packing: crystalline tartrates of glycine, β-alanine, γ-aminobutyric acid (GABA) andDL-α-aminobutyric acid (AABA)

Facile and novel one-pot three-component synthesis of isatin-thiazoles catalyzed by biogenic iron oxide nanoparticles

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