Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)

organic compounds

Acta Cryst. (2013). E69, o959    [ doi:10.1107/S1600536813013846 ]

N,N-Di­methyl­dehydro­abietyl­ammonium chloride ethanol monosolvate

X.-Z. Huang, X.-P. Rao and Y.-J. Cui

Abstract: The title compound {systematic name: 1-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octa­hydro­phenan­thren-1-yl]-N,N-di­methyl­methanaminium chloride ethanol monosolvate}, C22H36N+·Cl-·C2H6O, was synthesized from dehydroabietylamine by N-methyl­ation with formaldehyde/formic acid and transformation into the hydro­chloride. The de­hydro­abietyl moiety exhibits the usual conformation with the two cyclo­hexane rings in chair and half-chair conformations and a trans-ring junction. The crystal structure is built up from columns of the de­hydro­abietyl moieties stacked along the a axis. These columns are held together by the chloride ions via N-H...Cl and C-H...Cl inter­actions, which establish a two-dimensional network parallel to (010). The ethanol solvent mol­ecules are located between the columns and anchored via O-H...Cl hydrogen bonds.

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