*2.6. Single-Crystal X-ray Diffraction (SCXRD)*

Measured crystals were prepared under inert conditions immersed in perfluoropolyether as protecting oil for manipulation. Suitable crystals were mounted on MiTeGen Micromounts™, and these samples were used for data collection. Data for DIC–ADE, DIC–CYT, and DIC–ICT were collected with a Bruker D8 Venture diffractometer with graphite monochromated Cu-Kα radiation (λ = 1.54178 Å). The data were processed with APEX4 suite [21]. The structures were solved by intrinsic phasing using the ShelXT program [22], which revealed the position of all non-hydrogen atoms. These atoms were refined on F<sup>2</sup> by a full-matrix least-squares procedure using an anisotropic displacement parameter [23]. All hydrogen atoms were located in difference Fourier maps and included as fixed contributions riding on attached atoms with isotropic thermal displacement parameters 1.2 or 1.5 times those of the respective atom. The Olex2 software was used as a graphical interface [24]. Intermolecular interactions were calculated using PLATON [25]. Molecular graphics were generated using Mercury [26,27]. The crystallographic data for the reported structures were deposited with the Cambridge Crystallographic Data Center as supplementary publication no. CCDC 2180776-2180778. Additional crystal data are shown in Table 1. Copies of the data can be obtained free of charge at https://www.ccdc.cam.ac.uk/structures/.



Reflections collected 4383 4079 12246 29559 6125 Unique reflections 2589 3940 3398 6581 6125 Data/restraints/parameters 2582/36/217 3937/36/216 3398/0/263 6581/1/487 6125/3/488 Goodness-of-fit (on F2) 1.057 1.005 1.066 1.016 1.059 *R*1 [I > 2σ(I)] 0.0374 0.0397 0.0526 0.0506 0.0683 w*R*2 [I > 2σ(I)] 0.0992 0.0859 0.1531 0.1302 0.1800 Absolute structure parameter - - - 0.067 (15) 0.01 (2) CCDC 128772 128771 2180776 2180777 2180778

**Table 1.** *Cont.*

\* Reported in [28].
