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Lookup NU author(s): Natalie Johnson, Professor Mike ProbertORCiD, Dr Paul Waddell
This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).
© 2021.During the course of research into the structure of 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ), C12F4N4, an important compound in charge-transfer and organic semiconductor research, a previously unreported polymorph of F4TCNQ was grown concomitantly with the known polymorph from a saturated solution of dichloromethane. The structure was elucidated using single-crystal X-ray diffraction and it was found that the new polymorph packs with molecules in parallel layers, in a similar manner to the layered structure of F2TCNQ. The structure was analysed using Hirshfeld surface analysis, fingerprint plots and pairwise interaction energies, and compared to existing data. The structure of a toluene solvate of F4TCNQ is also reported.
Author(s): Johnson NT, Probert MR, Waddell PG
Publication type: Article
Publication status: Published
Journal: Acta Crystallographica Section C: Structural Chemistry
Year: 2021
Volume: C77
Issue: 7
Pages: 426-434
Print publication date: 01/07/2021
Online publication date: 28/06/2021
Acceptance date: 17/06/2021
Date deposited: 17/09/2021
ISSN (electronic): 2053-2296
Publisher: International Union of Crystallography
URL: https://doi.org/10.1107/S2053229621006252
DOI: 10.1107/S2053229621006252
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