Naslov
Halogen bonding in the systems of benzoyl- 4pyridoylmethane and perhalogenated hydrocarbons

Autori
Bedeković, Nikola ; Martinez, Valentina ; Stilinović, Vladimir ; Cinčić, Dominik

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

Izvornik
Seventh National Crystallographic Symposium with International Participation - program and abstracts / - Sofija, 2018, 36-36

Skup
Seventh National Crystallographic Symposium with International Participation (VII’NCS)

Mjesto i datum
Sofija, Bugarska, 03.10.2018. - 05.10.2018

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
halogen bonding, perhalogenated hydrocarbons, benzoyl-4pyridoylmethane

Sažetak
Halogen bond is an attractive interaction between an electrophilic region on a halogen atom in a molecular entity (halogen bond donor) and a nucleophilic region in another, or the same, molecular entity (halogen bond acceptor) [1]. Alongside hydrogen bond, it is a widely used tool for constructing supramolecular assemblies in the solid state, where perhalogenated hydrocarbons have been highlighted as the most frequently used halogen bond donors [2]. On the other hand, potential for using b-diketones for the synthesis of a halogen-bonded structures in the solid state has scarcely been investigated to date, indicated by only 6 structures deposited with the CSD.[3] In this contribution we are presenting crystal structures of a novel asymmetric b-diketone, benzoyl-4-pyridoylmethane (b4pm) and cocrystals derived from b4pm and five usual halogen bond donors: iodopentaflourobenzene (ipfb), 1, 2- , 1, 3- and 1, 4-diiodotetraflorobenzene (1, 2-tfib, 1, 3-tfib and 1, 4-tfib) and 1, 3, 5-triiodo-2, 4, 6trifluorobenzene (1, 3, 5-titfb). These binary solids have been prepared both by crystallization from solution and liquid-assisted grinding (LAG). All five cocrystals are assembeled by C—I···N halogen bonds involving pyridyl nitrogen and iodoperfluorobenzene iodine. Furthermore, cocrystals derived from 1, 3-tfib and 1, 2-tfib have additional C—I···O halogen bonds, involving oxygen atoms from b-diketo group and the other iodine atom. Most of the obtained cocrystals are of 1:1 stoichiometry except (b4pm)2(1, 4-tfib), where stoichiometry is 2:1 as a result of 1, 4- tfib bridging two diketone molecules via C—I···N halogen bonds. All obtained compounds have been characterized by X-ray powder diffraction, thermogravimetry and differential scanning calorimetry.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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