Issue 4, 2020

Nature of the multicomponent crystal of salicylic acid and 1,2-phenylenediamine

Abstract

The synthesis and characterization of the multicomponent crystal formed by salicylic acid and 1,2-phenylenediamine (a diarylamine) are reported. The crystals are in the salt rather than cocrystal form, as witnessed by X-ray photoelectron spectroscopy, solid-state NMR, and infrared spectroscopy. 1H double-quantum-single-quantum NMR was pivotal in confirming the proton transfer from the salicylic acid to the amine group of the basic coformer 1,2-phenylenediamine. DFT calculations were used for the geometry optimization of the hydrogen atom positions, and for calculating the NMR chemical shifts of the two possible salt/cocrystal X-ray diffraction models.

Graphical abstract: Nature of the multicomponent crystal of salicylic acid and 1,2-phenylenediamine

Supplementary files

Article information

Article type
Paper
Submitted
17 10 2019
Accepted
10 12 2019
First published
10 12 2019

CrystEngComm, 2020,22, 708-719

Nature of the multicomponent crystal of salicylic acid and 1,2-phenylenediamine

A. Z. Tier, K. M. Wust, J. C. B. Vieira, M. Sardo, T. Čendak, L. Mafra, J. Rocha, I. M. Gindri, M. Hörner and C. P. Frizzo, CrystEngComm, 2020, 22, 708 DOI: 10.1039/C9CE01650C

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