13-(N,N-Dimethylamino)micheliolide 0.08-hydrate

Shobanbabu Bommagani, Narsimha Reddy Penthala, Venumadhav Janganati, Sean Parkin, Peter A. Crooks

Research output: Contribution to journalArticlepeer-review

2 Scopus citations


The title compound, C17H27NO3·0. 08H2O {sytematic name: (3R,3aS,9R,9aS,9bS)-3-[(dimethylamino)methyl]- 9-hydroxy-6,9-dimethyl-3,3a,4,5,7,8,9,9a-octahydroazuleno[4,5-b]furan-2(9bH) -one 0.08-hydrate}, exhibits intramolecular O-H⋯O hydrogen bonding to form a ring of graph-set motif S(6). As well as this intramolecular hydrogen bond with the lactone-ring O atom, the hydroxy H atom forms an O-H⋯O hydrogen bond to the low-occupancy partial water molecule [occupancy = 0.078 (2)]. The water molecule is correlated with disorder of the N(CH3)2 group [major-minor occupancy factors are 0.922 (2):0.078 (2)]. The dihedral angle between the mean planes of the trans-fused seven-membered ring and the lactone ring is 4.42 (9)°.

Original languageEnglish
Pages (from-to)o1789-o1790
JournalActa Crystallographica Section E: Structure Reports Online
Issue number12
StatePublished - Dec 2013

ASJC Scopus subject areas

  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics


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