Naslov
Cocrystallization of perhalogenated halogen bond donors with imines derived from 2- nitrobenzaldehyde and 4-haloanilines

Autori
Poljanić, Leon ; Baus Topić, Nea ; Bedeković, Nikola ; Stilinović, Vladimir ; Cinčić, Dominik

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

Izvornik
The twenty-eighth Croatian-Slovenian Crystallographic Meeting – CSCM28 Book of Abstracts / - , 2022, 69-69

Skup
28th Croatian-Slovenian Crystallographic Meeting

Mjesto i datum
Poreč, Hrvatska, 07.09.2022. - 11.09.2022

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Podatak o recenziji nije dostupan

Ključne riječi
cocrystal ; halogen bond ; pnicogen bond

Sažetak
The study of halogen bond and other σ-hole interactions, such as pnicogen bond, in multicomponent systems is one of the most developing areas in crystal engineering and supramolecular chemistry [1, 2]. In crystal structures, different σ-hole interactions can be achieved simultaneously. In such cases, there is requited influence to interaction geometries, strength and linearity [3]. One of the functional groups that has the potential to form both halogen and pnicogen bonds is nitro group [4, 5]. In this work, three imines were prepared by condensation of 2-nitrobenzaldehyde and 4- haloaniline (halogen = Cl, Br, I). The prepared imines were cocrystalized with selected perhalogenated halogen bond donors in order to investigate the potential of different functional groups located on imines that can act as halogen bond acceptors. Six novel cocrystals were prepared using liquid assisted mechanochemical synthesis, one-pot mechanochemical synthesis and by crystallization from solution. The obtained products were characterized by both powder and single-crystal X-ray diffraction, thermal analysis and computational methods. Structure analysis reported N⸱⸱⸱I halogen bond between halogen bond donor and imine as the dominant supramolecular interaction in all six cocrystals, while in five of them acceptor moleculues are additionally connected via N⸱⸱⸱O pnicogen bonds and pi-nitro group interactions.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA