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• W4200610080 endingPage "132056" @default.
• W4200610080 startingPage "132056" @default.
• W4200610080 abstract "• Synthesis of five 2-subtituted 1 H -perimidines bearing an acidic aliphatic tail are reported. • Influence of the substituent on the electronic and biological properties. • Zwitterionic tautomerism in the solid state according to single crystal X-ray diffraction. • Influence of the substituent and water inclusions on the crystal packing. • Formation of the 3D network complexes. Structural and electronic properties of five 2-substituted 1 H -perimidines: 3-(1 H -perimidin-2-yl)propanoic acid ( SPm ), (Z)-3-(1 H -perimidin-2-yl)acrylic acid) ( MPm ), (Z)-3-(1 H -perimidin-2-yl)but-2-enoic acid ( CPm-1 ), (Z)-2-methyl-3-(1 H -perimidin-2-yl)acrylic acid ( CPm-2 ) and 2-((1 H -perimidin-2-yl)methyl)acrylic acid ( IPm ) have been studied. All perimidines bear aliphatic acidic substituents at 2-position andare distinguished by a carbon-carbon double bond in the substituents. The crystallographic X-ray diffraction analysis revealed that they exist in the solid state as zwitterions. Primary screening of 2-substituted 1 H -perimidines against different cancer cell lines were also realized. The results obtained are discussed in terms of the structure-property relationships and compared with density functional theory calculations. Additionally, the effect of inclusion of water molecules in the crystal lattice on the molecular packing is analyzed. ." @default.
• W4200610080 created "2021-12-31" @default.
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• W4200610080 date "2022-03-01" @default.
• W4200610080 modified "2023-10-10" @default.
• W4200610080 title "2-Substituted perimidines: Zwitterionic tauterism in solid state, substituent effect on their crystal packing and biological activity" @default.
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• W4200610080 doi "https://doi.org/10.1016/j.molstruc.2021.132056" @default.
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