Figure 7
Comparison of the best SA solution for 33 (top; = 4.1) with the fourth-ranked structure in the batch of 20 SA runs (bottom: = 10.9). The corresponding phenyl ring centroids in each structure are separated by 0.10 Å (disordered ring) and 0.20 Å, with the S atoms 0.17 Å apart. The numerals in the bottom structure indicate the separation (Å) from the corresponding atom in the top structure. |