Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 8 (August 2006)

organic compounds

dn3017 scheme

Acta Cryst. (2006). C62, o458-o460 [ doi:10.1107/S0108270106019524 ]

Hydrated forms of N-[(3R)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]-(1S,2R)-bornane-10,2-sultam and its enantiomer

Y. Elemes and K. W. Muir

Abstract: Triazolidinediones react with each enantiomeric bornanesultam derivative of tiglic acid to produce the appropriate ene adduct in high yield and with excellent regioselectivity and diastereoselectivity. The optically pure products, viz. N-[(3R)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]-(1S,2R)-bornane-10,2-sultam 0.15-hydrate, C₁₈H₂₆N₄O₅S·0.15H₂O, and its enantiomer N-[(3S)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]-(1R,2S)-bornane-10,2-sultam 0.35-hydrate, C₁₈H₂₆N₄O₅S·0.35H₂O, have been characterized by spectroscopy and single-crystal X-ray analysis. Their structures are the result of C [beta] -re attack of the enophile on the double bond of the alkene.

Formula: C₁₈H₂₆N₄O₅S·0.151H₂O and C₁₈H₂₆N₄O₅S·0.3485H₂O


	Structure factor file (CIF format) (273.6 kbytes) [ doi:10.1107/S0108270106019524/dn3017IIasup2.hkl ] Contains datablock IIa

	Structure factor file (CIF format) (276.4 kbytes) [ doi:10.1107/S0108270106019524/dn3017IIbsup3.hkl ] Contains datablock IIb

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