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N-Carbamothioyl-amino-7-oxabicyclo-[2.2.1]hept-5-ene-2,3-dicarboximide.

ABSTRACT: The title compound, C(9)H(9)N(3)O(3)S, comprises a racemic mixture of chiral mol-ecules containing four stereogenic centres. The cyclo-hexane ring tends towards a boat conformation, while the tetra-hydro-furan ring and the dihydro-furan ring adopt envelope conformations. The dihedral angle between the thio-semicarbazide fragment and the fused-ring system is 77.20?(10)°. The crystal structure is stabilized by two inter-molecular N-H?O hydrogen bonds.

SUBMITTER: Li J

PROVIDER: S-EPMC3011812 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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N-Carbamothioyl-amino-7-oxabicyclo-[2.2.1]hept-5-ene-2,3-dicarboximide.

Li Jian J

Acta crystallographica. Section E, Structure reports online 20101127 Pt 12

The title compound, C(9)H(9)N(3)O(3)S, comprises a racemic mixture of chiral mol-ecules containing four stereogenic centres. The cyclo-hexane ring tends towards a boat conformation, while the tetra-hydro-furan ring and the dihydro-furan ring adopt envelope conformations. The dihedral angle between the thio-semicarbazide fragment and the fused-ring system is 77.20 (10)°. The crystal structure is stabilized by two inter-molecular N-H⋯O hydrogen bonds. ...[more]

PMID: 21589603

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