Abstract
In the title solvated salt, C9H14N+·Cl−·C19H24O2·0.5C7H7, two molecules of 4,4′-(propane-2,2-diyl)bis(2,6-dimethylphenol) are linked via O—H⋯Cl hydrogen bonds to two chloride ions, each of which is also engaged in N—H⋯Cl hydrogen bonding to a 4-tert-butylpyridinium cation, giving a cyclic hydrogen-bonded entity centred at 1/2, 1/2, 1/2. The toluene solvent molecule resides in the lattice and resides on an inversion centre; the disorder of the methyl group requires it to have a site-occupancy factor of 0.5. No crystal packing channels are observed.
Highlights
H atoms treated by a mixture of independent and constrained refinement
Synthesis and crystallization The title compound crystallized from toluene as very thin colourless plates from the reaction between TiCl4 and 4,4′-(propane-2,2-diyl)bis(2,6-dimethylphenol) in the presence of 4-tert-butylpyridine
H1 and H2 were located from a difference map and their positions were allowed to ride on their oxygen atoms
Summary
Key indicators: single-crystal X-ray study; T = 150 K; mean (C–C) = 0.004 A; disorder in solvent or counterion; R factor = 0.052; wR factor = 0.114; data-toparameter ratio = 13.2. Related literature For general background to hydrogen-bond structural information, see: Hamilton & Ibers (1968). For hydrogen bonding in phenol molecules, see: Prout et al (1988); Ziemer & Surygina, (2000). For the structure of a related bis-phenol molecule, see: Okada (1996). For hydrogen bonds between pyridinium hydrochloride and OH-containing molecules, see: Sykora & Cioffi (2007); Hossain et al (1988). Crystal data C9H14N+ÁClÀÁC19H24O2Á0.5C7H7 Mr = 501.60 Monoclinic, P21=n a = 13.5656 (9) Ab = 14.3215 (9) Ac = 15.787 (1) A = 112.186 (1)
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
