NDLI: Two New Organic Co-Crystals Based on Acetamidophenol Molecules

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Two New Organic Co-Crystals Based on Acetamidophenol Molecules

Content Provider	MDPI
Author	Andrusenko, Iryna Hitchen, Joseph Mugnaioli, Enrico Potticary, Jason Hall, Simon R. Gemmi, Mauro
Copyright Year	2022
Description	Herein we present two new organic co-crystals obtained through a simple solution growth process based on an acetamidophenol molecule, either paracetamol or metacetamol, and on 7,7,8,8-tetracyanoquinodimethane (TCNQ). These co-crystals are part of a family of potential organic charge transfer complexes, where the acetamidophenol molecule behaves as an electron donor and TCNQ behaves as an electron acceptor. Due to the sub-micron size of the crystalline domains, 3D electron diffraction was employed for the structure characterization of both systems. Paracetamol-TCNQ structure was solved by standard direct methods, while the analysis of metacetamol-TCNQ was complicated by the low resolution of the available diffraction data and by the low symmetry of the system. The structure determination of metacetamol-TCNQ was eventually achieved after merging two data sets and combining direct methods with simulated annealing. Our study reveals that both paracetamol-TCNQ and metacetamol-TCNQ systems crystallize in a 1:1 stoichiometry, assembling in a mixed-stack configuration and adopting a non-centrosymmetric P1 symmetry. It appears that paracetamol and metacetamol do not form a strong structural scaffold based on hydrogen bonding, as previously observed for orthocetamol-TCNQ and orthocetamol-TCNB (1,2,4,5-tetracyanobenzene) co-crystals.
Starting Page	431
e-ISSN	20738994
DOI	10.3390/sym14030431
Journal	Symmetry
Issue Number	3
Volume Number	14
Language	English
Publisher	MDPI
Publisher Date	2022-02-22
Access Restriction	Open
Subject Keyword	Symmetry Biophysics Electron Diffraction Organic Charge Transfer Complex Acetamidophenol Co-crystals Structure Determination Simulated Annealing
Content Type	Text
Resource Type	Article

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