The crystal structure of dodecyltrimethylammoniumbromide

Abstract
C15H34BrN, monoclinic, P 21/m,a= 21.603(9),b= 7.261(3),c= 5.636(2) Å, β = 86.85(2)°,Z= 2,V= 882.72 Å3,Dx= 1.160 g/cm3, μ(MoKα) = 2.45 cm−1, λ(MoKα) = 0.71069 Å. The structure of this cationic surfactant was solved with Patterson methods and refined toR= 0.091 for 2057 measured reflections. The dodecyl chains are slightly screwed around their chain axes. The hydrocarbon chains are statistically disordered. The polar regions satisfy the mirror plane which is by remaining parts only statistically fulfilled. In the process of structure refinement statistical disorder has been included by separation of some atom positions. The sublattice of the hydrocarbon chains is nearly O⟂ withas= 5.14,bs= 7.26,cs= 2.52 Å.

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