Figure 3
Overlay between meloxicam (grey), MX·HBr (red) and MX·HCl (green), calculated with Mercury (Macrae et al., 2020). The fits were carried out using atoms belonging to the 1,2-benzothiazine core (14 atoms), while the amide and thiazole groups were kept free. The r.m.s. deviations for the fits are better than 0.04 Å. For the structure of the neutral molecule MX, which has been reported three times, refcode SEDZOQ was retained (Fabiola et al., 1998), in order to have all models at room temperature. For clarity, halide anions are omitted, as well as H atoms bonded to C atoms. Note that in MX, the thiazole ring is not protonated. |