Experimental & Theoretical Study of Novel Quinazoline Derivative - Gandhi, Sahajkumar A.
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Quinazoline, the significant member of the heterocyclic compound, has an advantaged scaffold that appears as a significant assembly motif for the development of new drug entities. This book confers information about the X-ray crystal structure, computational calculations, and antimicrobial activities of significant quinazoline derivative, 3-[2-(3, 4-Dimethoxy-phenyl)-ethyl]-2-methyl-3H-quinazoline-4-one. In summary, we report the synthesis, spectroscopic characterizations of FTIR, 1H & 13C NMR, and single-crystal XRD investigations of a quinazoline derivative. The crystal structure is…mehr

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Produktbeschreibung
Quinazoline, the significant member of the heterocyclic compound, has an advantaged scaffold that appears as a significant assembly motif for the development of new drug entities. This book confers information about the X-ray crystal structure, computational calculations, and antimicrobial activities of significant quinazoline derivative, 3-[2-(3, 4-Dimethoxy-phenyl)-ethyl]-2-methyl-3H-quinazoline-4-one. In summary, we report the synthesis, spectroscopic characterizations of FTIR, 1H & 13C NMR, and single-crystal XRD investigations of a quinazoline derivative. The crystal structure is stabilized by significant C-H...O, C-H...N, C-O...p, and p-p interactions. The theoretical calculations are performed using the DFT method with B3LYP applying a 6-311G basis set. The content of this book has been developed through the Author's Ph.D. program of Physics at Sardar Patel University, Vallabh Vidyanagar, India. This book is particularly true for beginners of X-ray crystallographers.
Autorenporträt
Il Dr. Sahajkumar Gandhi lavora come professore assistente al Bhavans College, Dakor, affiliato alla Sardar Patel University. Lavora nel campo della cristallografia a raggi X, del lavoro computazionale quantistico e dello studio di docking molecolare di piccole biomolecole. Ha pubblicato più di 30 pubblicazioni di ricerca in riviste con un buon fattore di impatto.