Abstract
The conformational analysis of the title compound ( 2) using X-ray crystallographic analysis, molecular mechanics calculations, and chemical shift simulation method is presented. Temperature dependent signal behavior of 2 in its 1H NMR spectrum showed that a single anti conformer plays a significant role in its conformational dynamic equilibrium with very small contribution of syn structures. The structure of the anti conformer was analyzed by our newly developed technique using chemical shift simulation. The structure of the anti conformer was thus determined unequivocally in solution, and is identical with the structure found in the crystalline state.
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.
