Flucytosine Antifungal Drug in Organic-Inorganic Bismuth Chloride Material: Crystal Structure, Optical Properties, Biological Activities, and Computational Insights

• Published in: Journal of cluster science Vol. 35; no. 5; pp. 1291 - 1303
• Main Authors: Ferjani, Hela, Bechaieb, Rim, Jemaa, Mariem Ben, Ibrahim, Nasir A., Alhussain, Hanen, Yousef, Tarek A., Hamed, Seham M., Mohamed, Marwa Yousry A.
• Format: Journal Article
• Language: English
• Published: New York Springer US 01.06.2024; Springer Nature B.V
• Subjects: Biological properties; Bismuth; Catalysis; Chemistry; Chemistry and Materials Science; Contaminants; Crystal structure; Density functional theory; E coli; Electronic structure; Electrons; Energy gap; Fungicides; Hydrogen bonds; Inorganic Chemistry; Investigations; Molecular orbitals; Molecular structure; Nanochemistry; Optical properties; Original Paper; Packaging; Physical Chemistry; Single crystals; Surface analysis (chemical); Pentachlorobismuthate; Flucytosine Drug; DFT; FMOs; Hirshfeld Surface Analysis; Antimicrobial Activities

In this paper, we report the synthesis and characterization of a new material, (HFlucytosine) 2 BiCl 5 . The structure studied by single crystal X-ray diffraction reveals one-dimensional (1D) il  [BiCl 5 ] n 2−  chains surrounded by protonated flucytosine antifungal drug (HFlucytosine) + . The struc...