A conformational search was also performed with the Conformer-Rotamer Ensemble Sampling Tool (CREST) using the GFN2-xTB semiempirical method, a generalized born solvation model augmented by the solvent-accessible surface area (gbsa) and an energy window of 10 kcal . mol -1 . Two runs were done for each of two the solvents (chloroform and dichloromethane). As a starting point for each search we used the previously found lowest energy conformers A and B. Geometries in an energy window of 6 kcal . mol -1 found by CREST were reoptimized using RI -BP86-D3BJ/def2-SVP level of theory and CPCM continuum solvent model implemented in ORCA 5.0.3. Finally, conformers in the energy window of 3 kcal . mol -1 were optimized using Gaussian16 Rev. C.01 and levels of theory described in the previous paragraph. radii.