Naslov
Halogen bonded cocrystals of 4-benzoylpyridine with perhalogenated compounds

Autori
Baus, Nea ; Lisac, Katarina ; Cinčić, Dominik

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Solid-State Science & Research 2019 : book of abstracts / Biliškov, Nikola - Zagreb : Institut Ruđer Bošković, 2019, 99-99

ISBN
978-953-7941-32-1

Skup
Solid State Science and Research Meeting

Mjesto i datum
Zagreb, Hrvatska, 27.06.2019. - 29.06.2019

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
halogen-bonded cocrystals, 4-benzoylpyridine, liquid-assisted grinding

Sažetak
Over last two decades, halogen bond has become a versatile design tool in crystal engineering and materials chemistry [1]. Following our previous research with 4-benzoylpyridine (4bzpy) as halogen bond acceptor [2, 3], in this work four new cocrystals of 4bzpy with 1, 4- dibromotetrafluorobenzene (14tfbb), 1, 4- diiodotetrafluorobenzene (14tfib), iodopentafluorobenzene (ipfb) and 1, 4- diiodooctafluorobutane (ofib) were prepared by crystallization from solution and liquid- assisted grinding. Single crystal X-ray diffraction experiments revealed that in all four cocrystals, a pyridine nitrogen is employed in halogen bonding via the X···N (X = Br or I) halogen bond. Cocrystallization of 4bzpy with 14tfbb, 14tfib and ofib, resulted in cocrystals exhibiting 2 : 1 stoichiometry with a very similar supramolecular trimer. Cocrystallization with ipfb, resulted in cocrystals exhibiting 1 : 1 stoichiometry. The X···N distances in cocrystals range from 2.793 Å to 2.972 Å with angle C-X···N from 169 to 178°. As all iodine or bromine atoms of donors are involved in halogen bonds with the pyridine, no halogen donors are available for binding to the carbonyl oxygen. The carbonyl group in all cases participates in contacts with aromatic rings of neighboring molecules. [1] G. Cavallo, et al, Chem. Rev. 116 (2016) 2478. [2] V. Stilinović, et al, Chem.-Eur. J. 23 (2017) 5244. [3] M. Eraković, et al, Cryst.Growth Des. 18 (2018) 1182.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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