Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura

Lenta BN, Chouna RJ, Neumann B, Stammler H-G, Sewald N. Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura. Acta Crystallographica. Section E, Crystallographic Communications. 2015;71(Pt 7):o457–o458.The title compound, C24H31NO3 {systematic name: (E)-3-[(1R*,2S*,4aS*,8aR*)-2-(benzo[d][1,3]dioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-N-isobutylacrylamide}, is a natural product isolated from the stem bark of B. obscura. It is composed of an octahydronaphthalene ring system substituted with an essentially planar benzodioxole ring system [r.m.s. deviation = 0.012 angstrom] and an extended isobutylacrylamide group. In the crystal, molecules are linked by N-H center dot center dot center dot O hydrogen bonds, forming chains propagating along [100]. The chains are linked by pairs of C-H center dot center dot center dot O hydrogen bonds, involving inversion-related benzodioxole ring systems, forming ribbons lying parallel to (010). There are also CH center dot center dot center dot pi interactions present within the ribbons

Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura

The title compound, C24H31NO3 {systematic name: (E)-3-[(1R*,2S*,4aS*,8aR*)-2-(benzo[d][1,3]dioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-N-isobutylacrylamide}, is a natural product isolated from the stem bark of B. obscura. It is composed of an octahydronaphthalene ring system substituted with an essentially planar benzodioxole ring system [r.m.s. deviation = 0.012 Å] and an extended isobutylacrylamide group. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains propagating along [100]. The chains are linked by pairs of C—H...O hydrogen bonds, involving inversion-related benzodioxole ring systems, forming ribbons lying parallel to (010). There are also C—H...π interactions present within the ribbons