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Crystal and mol-ecular structure of aflatrem.

Lenta BN, Ngatchou J, Kenfack PT, Neumann B, Stammler HG, Sewald N - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The skeleton is completed by the 7,7-trimethyl-6,8-dioxabi-cyclo-[3.2.1]oct-3-en-2-one group connected to the terminal cyclohexene ring.The two cyclohexane rings adopt chair and half-chair conformations, while in the dioxabi-cyclo-[3.2.1]oct-3-en-2-one unit, the six-membered ring has a half-chair conformation.The indole system of the mol-ecule exhibits a tilt of 2.02 (1)° between its two rings.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Higher Teacher Training College, University of Yaoundé 1, PO Box 47, Yaoundé, Cameroon.

ABSTRACT
The crystal structure of the title compound, C32H39NO4, confirms the absolute configuration of the seven chiral centres in the mol-ecule. The molecule has a 1,1-dimethylprop-2-enyl substituent on the indole nucleus and this nucleus shares one edge with the five-membered ring which is, in turn, connected to a sequence of three edge-shared fused rings. The skeleton is completed by the 7,7-trimethyl-6,8-dioxabi-cyclo-[3.2.1]oct-3-en-2-one group connected to the terminal cyclohexene ring. The two cyclohexane rings adopt chair and half-chair conformations, while in the dioxabi-cyclo-[3.2.1]oct-3-en-2-one unit, the six-membered ring has a half-chair conformation. The indole system of the mol-ecule exhibits a tilt of 2.02 (1)° between its two rings. In the crystal, O-H⋯O hydrogen bonds connect mol-ecules into chains along [010]. Weak N-H⋯π inter-actions connect these chains, forming sheets parallel to (10-1).

No MeSH data available.


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Crystal packing of aflatrem showing O—H···O hydrogen-bonded (dashed lines) zigzag chains along the b axis in the (010) plane . Weak N—H···π interactions are also shown as dashed lines. Symmetry codes: (i) - x+ 2, y - 1/2, -z + 2; (ii) -x + 1, y - 1/2, -z + 1; (iii) -x + 1, y + 1/2, -z + 1; (iv) -x + 2, y + 1/2, -z + 2.
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Fap2: Crystal packing of aflatrem showing O—H···O hydrogen-bonded (dashed lines) zigzag chains along the b axis in the (010) plane . Weak N—H···π interactions are also shown as dashed lines. Symmetry codes: (i) - x+ 2, y - 1/2, -z + 2; (ii) -x + 1, y - 1/2, -z + 1; (iii) -x + 1, y + 1/2, -z + 1; (iv) -x + 2, y + 1/2, -z + 2.


Crystal and mol-ecular structure of aflatrem.

Lenta BN, Ngatchou J, Kenfack PT, Neumann B, Stammler HG, Sewald N - Acta Crystallogr E Crystallogr Commun (2015)

Crystal packing of aflatrem showing O—H···O hydrogen-bonded (dashed lines) zigzag chains along the b axis in the (010) plane . Weak N—H···π interactions are also shown as dashed lines. Symmetry codes: (i) - x+ 2, y - 1/2, -z + 2; (ii) -x + 1, y - 1/2, -z + 1; (iii) -x + 1, y + 1/2, -z + 1; (iv) -x + 2, y + 1/2, -z + 2.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645010&req=5

Fap2: Crystal packing of aflatrem showing O—H···O hydrogen-bonded (dashed lines) zigzag chains along the b axis in the (010) plane . Weak N—H···π interactions are also shown as dashed lines. Symmetry codes: (i) - x+ 2, y - 1/2, -z + 2; (ii) -x + 1, y - 1/2, -z + 1; (iii) -x + 1, y + 1/2, -z + 1; (iv) -x + 2, y + 1/2, -z + 2.
Bottom Line: The skeleton is completed by the 7,7-trimethyl-6,8-dioxabi-cyclo-[3.2.1]oct-3-en-2-one group connected to the terminal cyclohexene ring.The two cyclohexane rings adopt chair and half-chair conformations, while in the dioxabi-cyclo-[3.2.1]oct-3-en-2-one unit, the six-membered ring has a half-chair conformation.The indole system of the mol-ecule exhibits a tilt of 2.02 (1)° between its two rings.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Higher Teacher Training College, University of Yaoundé 1, PO Box 47, Yaoundé, Cameroon.

ABSTRACT
The crystal structure of the title compound, C32H39NO4, confirms the absolute configuration of the seven chiral centres in the mol-ecule. The molecule has a 1,1-dimethylprop-2-enyl substituent on the indole nucleus and this nucleus shares one edge with the five-membered ring which is, in turn, connected to a sequence of three edge-shared fused rings. The skeleton is completed by the 7,7-trimethyl-6,8-dioxabi-cyclo-[3.2.1]oct-3-en-2-one group connected to the terminal cyclohexene ring. The two cyclohexane rings adopt chair and half-chair conformations, while in the dioxabi-cyclo-[3.2.1]oct-3-en-2-one unit, the six-membered ring has a half-chair conformation. The indole system of the mol-ecule exhibits a tilt of 2.02 (1)° between its two rings. In the crystal, O-H⋯O hydrogen bonds connect mol-ecules into chains along [010]. Weak N-H⋯π inter-actions connect these chains, forming sheets parallel to (10-1).

No MeSH data available.


Related in: MedlinePlus