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 (2015)
Acta Crystallographica. Section E, Crystallographic Communications 71(Pt 7).

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Abstract
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.
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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).
Lenta, B. N., Chouna, R. J., Neumann, B., Stammler, H. - G., & Sewald, N. (2015). Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura. Acta Crystallographica. Section E, Crystallographic Communications, 71(Pt 7).
Lenta, B. N., Chouna, R. J., Neumann, B., Stammler, H. - G., and Sewald, N. (2015). Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura. Acta Crystallographica. Section E, Crystallographic Communications 71.
Lenta, B.N., et al., 2015. Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura. Acta Crystallographica. Section E, Crystallographic Communications, 71(Pt 7).
B.N. Lenta, et al., “Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura”, Acta Crystallographica. Section E, Crystallographic Communications, vol. 71, 2015.
Lenta, B.N., Chouna, R.J., 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. 71, (2015).
Lenta, Bruno N., Chouna, Rodolphe J., Neumann, Beate, Stammler, Hans-Georg, and Sewald, Norbert. “Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura”. Acta Crystallographica. Section E, Crystallographic Communications 71.Pt 7 (2015).
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PMID: 26279906
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