Cocrystals of 2,4,6-collidinium and 3,5-lutidinium halogenides with 1,4-diiodotetrafluorobenzene

Abstract

S ciljem izučavanja halogenida kao akceptora halogenske i vodikove veze istovremeno, u sklopu ovog diplomskog rada pripravljeni su halogenidi 2,4,6-kolidina (246kol) i 3,5-lutidina (35lut) koji su kokristalizirani s 1,4-dijodtetrafluorbenzenom (14tfib). Soli i kokristali su pripravljeni sintezom iz otopine. Metodom difrakcije na jediničnom kristalu, određene su molekulske i kristalne strukture 6 soli, 2 solvata soli i 7 kokristala soli. U svim pripravljenim kokristalima, uz vodikove veze N−H⋯X – s kationima 246kolH+ i 35lutH+, halogenidi ostvaruju halogenske veze C‒I⋯X‒ s molekulama 14tfib stvarajući motive cik-cak lanca. Uspoređujući duljine interakcija relativne sumama van der Waalsovih i ionskih radijusa atoma u interakciji unutar 246kol i 35lut serija, vodikove veze su relativno kraće za halogenide manjeg radijusa, dok su relativne duljine halogenskih veza međusobno bliskih vrijednosti i ne prate nikakav trend.In order to study the halogenide anion as an acceptor of halogen and hydrogen bonds simultaneously, single crystals of 2,4,6-collidinium (246col) and 3,5-lutidinium halogenides (35lut), and their respective cocrystals with 1,4-diiodotetrafluorobenzene (14tfib), were prepared via solution synthesis within this master thesis. The molecular and crystal structures of 6 salts, 2 solvates of salts and 7 cocrystals of salts were determined by single crystal X-ray diffraction experiments. In all the prepared cocrystals, along with N−H⋯X– hydrogen bonds, every halogenide and 14tfib alternate forming zig-zag chains via C‒I⋯X‒ halogen bonds. Comparing interaction lengths relative to the sum of van der Waals and ionic radii of the donor and acceptor atoms within the 246col and 35lut series, hydrogen bonds are relatively shorter for smaller halogenides while halogen bonds vary slightly in relative length and do not follow any trend