Crystallographic analysis of Royline monohydrate [C25H41NO7 center dot H2O]

The crystal and molecular structures of the alkaloid Royline {(1 alpha ,6 b eta ,14 alpha ,16 beta)-20-ethyl-4-hydroxymethyl)-1,6, 14,16-tetramethoxyac onitane-7,8-diol) with a water molecule has been determined by X-ray diffra ction analysis. The compound crystallizes in the space group P2(1) with the unit cell parameters a = 10.985 (1) Angstrom, b = 7.898(1) Angstrom, c = 1 4.956(1) Angstrom, beta = 102.96(1)degrees, V = 1264.52 Angstrom (3), Z = 2 , lambda MoKalpha = 0.71073 Angstrom and R = 0.033 for 2067 observed reflec tions. Rings A, B, and C adopt a chair conformation, ring D is a half-boat, ring E is a half-chair, and ring F is in an envelope conformation with C(1 4) at the nap. Molecules are linked together in the crystal by hydrogen bon ds. (C) 2001 MAIK "Nauka/Interperiodica".