Naslov
Halogen bonded cocrystals of N-bromophthalimide with2-chloro- and 2-bromopyridine

Autori
Marijan, Sara ; Nemec, Vinko ; Stilinović, Vladimir ; Cinčić, Dominik

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

Izvornik
The Twenty-Sixth Croatian - Slovenian Crystallographic Meeting - Book of abstracts and Programme / Matković-Čalogović, Dubravka ; Popović, Stanko ; Skoko, Željko - Zagreb : Hrvatska akademija znanosti i umjetnosti (HAZU) ; Hrvatska Kristalografska Zajednica, 2018, 64-64

Skup
26th Croatian-Slovenian Crystallographic Meeting (CSCM26)

Mjesto i datum
Poreč, Hrvatska, 13.06.2018. - 17.06.2018

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Nije recenziran

Ključne riječi
halogen bond, cocrystals, N-bromophthalimide, halogenopiridines

Sažetak
N-Haloimides are commercially available compounds, commonly used for halogenation in organic synthesis. Since they possess an extremely polarized halogen atom, they represent a new group of potent halogen bond (XB) donors that form very strong and close-to- linear halogen bonds with N- and O-containing acceptors via the robust (CO)2N– X∙∙∙N halogen bond synthon (X = Br, I) [1-3]. As a member of this group, N-bromophthalimide (nbph) has shown significant potential as a halogen bond donor for preparation of binary molecular solids with nitrogen bases [4]. In this work we present the cocrystallization of N-bromophthalimide (nbph) by both mechanochemical synthesis and the conventional solution-based method. As cocrystal coformers, we have selected 2-chloropyridine (2ClPy) and 2-bromopyridine (2BrPy). From a crystal engineering standpoint, the coformers are interesting due to the presence of a pyridine nitrogen atom as a potential strong halogen bond acceptor and an additional halogen atom (Br or Cl) as a potential acceptor and donor of another halogen bond. Obtained cocrystals were isostructural, with the dominant supramolecular interaction being the halogen bond between the N- bromophthalimide bromine and the pyridine nitrogen, while the halogen of the pyridine ring participated only in substantially longer halogen- halogen (type I) contacts.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA