Organic Cocrystals of TCNQ and TCNB Based on an Orthocetamol Backbone Solved by Three-Dimensional Electron Diffraction

We report the first cocrystals of TCNQ and TCNB based on orthocetamol, a regioisomer paracetamol. Through simple solution growth process, were produced containing orthocetamol as electron donors with coformers either 7,7,8,8-tetracyanoquinodimethane (TCNQ) or 1,2,4,5-tetracyanobenzene (TCNB), acceptors. Because submicron crystalline domains, 3D diffraction was employed for structure in both systems. This revealed that systems crystallize 1:1 stoichiometry which forms backbone allowing linking acceptor molecules mixed-stack configuration. Orthocetamol-TCNQ adopts an noncentrosymmetric Pc symmetry, orthocetamol-TCNB centrosymmetric P-1 symmetry. UV–vis FT-IR to probe ability these create charge transfer (CT) systems, revealing low degree transfer. Still, possibility use structural scaffold paves way entirely new class CT materials.