*3.11. Molecular Modeling*

The crystal structures of MAL, RIV and RIV-MAL Co were examined for identification of slip planes, d-spacing, intermolecular interactions and H-bonding dimensionalities using Mercury software (Version 3.7, Cambridge Crystallographic Data Centre, CCDC, Cambridge, UK). Previously, our lab has successfully solved and deposited crystal structures of RIV and RIV-MAL Co with the CCDC numbers 1854617 and 1854618, respectively [10]. The CIF file of MAL (CSD Reference code MALNAC02, deposition number 1209218) was downloaded from the CCDC website, https: //www.ccdc.cam.ac.uk/structures/.
