Unique embed-buckle structure in a supramolecular crystal

Conventional solution method yields an interesting supramolecular complex—[(CMCR)(phen)3]·H2O (1) which was characterized by crystallography. The unique embed-buckle architecture was formed through intra- and/or intermolecular hydrogen bonds and C–H⋯π interactions between the host—C-methylcalix[4]resorcarene (CMCR) and guest—1,10-phenanthroline (phen). The extended conjugated system of (1) results in an enlarged cavity in host molecule and further to the enhanced fluorescent property.