Comment on "Trimorphs of 4-bromophenyl 4-bromobenzoate. Elastic, brittle, plastic" by S. Saha and G. R. Desiraju, Chem. Commun., 2018, 54, 6348

Jacob J Whittaker; Aidan J Brock; Arnaud Grosjean; Michael C Pfrunder; John C McMurtrie; Jack K Clegg

doi:10.1039/d0cc07668f

Comment on "Trimorphs of 4-bromophenyl 4-bromobenzoate. Elastic, brittle, plastic" by S. Saha and G. R. Desiraju, Chem. Commun., 2018, 54, 6348

Chem Commun (Camb). 2021 May 18;57(40):4974-4975. doi: 10.1039/d0cc07668f.

Authors

Jacob J Whittaker^{1

2}, Aidan J Brock^{1

3}, Arnaud Grosjean^{1

4}, Michael C Pfrunder^{1

3}, John C McMurtrie³, Jack K Clegg¹

Affiliations

¹ School of Chemistry and Molecular Biosciences, The University of Queensland, St Lucia, Queensland 4072, Australia. j.clegg@uq.edu.au.
² University of Groningen, Groningen Biomolecular Sciences and Biotechnology Institute, Nijenborgh 4, 9747 AG, Groningen, The Netherlands.
³ School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia. j.mcmurtrie@qut.edu.au.
⁴ National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan, Republic of China.

PMID: 33870973
DOI: 10.1039/d0cc07668f

Abstract

A re-refinement of the published but chemically implausible, crystal structure of "Form III" of 4-bromophenyl 4-bromobenzoate shows that it is not a polymorph, but instead a co-crystal containing both 4-bromophenyl 4-bromobenzoate (≈25%) and likely 4-bromophenyl 4-nitrobenzoate (≈75%).