The crystal and molecular structure of 4-Aza-5-oxo-tricyclo[4.4.0.0^3,8]decane (Aza-twistanone)

Abstract

The crystal and molecular structure of 4-aza-5-oxo-tricyclo [4.4.0.03,8] decane (aza-twistanon) The crystalline structure of aza-twistanon was an X-ray structure analysis examined. The crystals belong to monoclinic space group P21 / n with cell dimensions a = 6.662 (6), b = 13.36 (2), c = 8.606 (9) Å, β = 98.97 (2) °, V = 757 Å3 , Z = 4 The structure was solved by direct methods and refined to R = 0.035 (mean σ (c) = 0.003 Å3). The cis-amide group is relatively strongly deformed and has a torsional angle Cα-C'-N-Cα of 14.5 (4 ) ° (out of plane deformation χc = 5.0 (5) ° and χN = 13.5 (4.0) °). The opposite äthylenbrücke has a torsion angle of 25.1 (5) °. The corresponding angle in twistane amount of 20 °. The tricyclic core of twistanon aza-approximate C2-symmetry (symmetry of twistane: D2) has.