Abstract
Indoles are heterocyclic compounds which exist widely in natural products. The title compound was synthesized by a two-step reaction and characterized by 1H NMR, 13C NMR, IR, and MS. Then, the single crystal structure of the target compound was determined by X-ray diffraction analysis, and the optimal crystal structure was determined by density functional theory calculation. The results show that the molecular structure of the optimized DFT is basically consistent with the crystal structure determined by X-ray single crystal diffraction. In addition, the geometric parameters, MEP, FMOS, Hirschfeld analysis and infrared spectral characteristics of the target compound were analyzed.
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.
