NDLI: Cocrystals Based on 4,4'-bipyridine: Influence of Crystal Packing on Melting Point

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Cocrystals Based on 4,4'-bipyridine: Influence of Crystal Packing on Melting Point

Content Provider	MDPI
Author	Ejarque, Daniel Calvet, Teresa Font-Bardia, Mercè Pons, Josefina
Copyright Year	2021
Description	The reactions of piperonylic acid (HPip) and cinnamic acid (HCinn) with 4,4’-bipyridine (4,4’-bipy) have been assayed using the same synthetic methodology, yielding two binary cocrystals with different acid:4,4’-bipy molar ratios, (HPip)(4,4’-bipy) (1) and (HCinn)2(4,4’-bipy) (2). The melting point (m.p.) of these cocrystals have been measured and a remarkable difference (ΔT ≈ 78 °C) between them was observed. Moreover, the two cocrystals have been characterized by powder X-ray diffraction (PXRD), elemental analysis (EA), FTIR-ATR, 1H NMR spectroscopies, and single-crystal X-ray diffraction. The study of their structural packings via Hirshfeld surface analysis and energy frameworks revealed the important contribution of the π···π and C-H···π interactions to the formation of different structural packing motifs, this being the main reason for the difference of m.p. between them. Moreover, it has been observed that 1 and 2 presented the same packing motifs as the crystal structure of their corresponding carboxylic acids, but 1 and 2 showed lower m.p. than those of the carboxylic acids, which could be related to the lower strength of the acid-pyridine heterosynthons respect to the acid-acid homosynthons in the crystal structures.
Starting Page	191
e-ISSN	20734352
DOI	10.3390/cryst11020191
Journal	Crystals
Issue Number	2
Volume Number	11
Language	English
Publisher	MDPI
Publisher Date	2021-02-16
Access Restriction	Open
Subject Keyword	Crystals Crystallography Cocrystals 4,4'-bipyridine Piperonylic Acid Cinnamic Acid Acid-pyridine Heterosynthon X-ray Crystal Structures Melting Point Hirshfeld Surface Analysis Energy Frameworks
Content Type	Text
Resource Type	Article

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