Experimental & Theoretical Study of Novel Quinazoline Derivative

ISBN-13: 9786204731360 / Angielski / Miękka / 96 str.

Sahajkumar A. Gandhi

Opis

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.

O autorze

Gandhi, Sahajkumar A.Dr. Sahajkumar Gandhi is working as an Assistant Professor at Bhavans College, Dakor, affiliated with Sardar Patel University. He is working in the field of X-ray crystallography, Quantum computational work, and molecular docking study of small bio-molecules. He has published more than 30 research publications in good impact factor journals.