Figure 7
An overlay of the major and minor conformations of the ebastinium cation in I (this work) with ebastine (CSD: QATJIF01) and ebastinium cation from the 3,5-dinitrobenzoate salt (CSD: HECMIO, major conformation only), from a least-squares fit of non-H atoms in the piperidine/piperidinium rings. The axial placement of the diphenylmethoxy group (at left) in the salts is clearly different from the equatorial placement of the free base (blue). For the sake of clarity, only the major disorder component of HECMIO is shown. Diagram generated using Mercury (Macrae et al., 2020). |