Abstract
Abstract We report an efficient and rapid synthesis of several new N-(tert-butyl)-2-(isoxazol-3-ylamino)-2-(aryl)acetamide derivatives from the corresponding aldehydes by a one-pot reaction, namely the Groebke-Blackburn-Bienayme multicomponent reaction. The corresponding products were obtained in moderate to good yields and were characterized by NMR, mass, FT-IR spectroscopies and single crystal X-ray crystallography. Our study also includes the Hirshfeld surface analysis and quantum chemical calculations using density functional theory (DFT) modeling at the B3LYP/6-311++G(d,p) level. Hirshfeld surface analysis (dnorm surface and 2D-fingerprint plots) revealed the nature of intermolecular contacts. The most important contributions for the crystal packing are from H⋯H interactions. The optimized structural parameters calculated using DFT were in good agreement with those determined by the X-ray method.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
