Hydrogen bonding in [(1R*,7aS*)-hexahydro-5-oxo-1H-pyrrolizinyl-1-yl]acetic acid.
The title acid, [(1R*,7aS*)-2,3,5,6,7,7a-hexahydro-5-oxo-1H-pyrrolizinyl-1-y l]acetic acid (C9H13NO3), crystallized in the centrosymmetric space group P1, with one molecule in the asymmetric unit. The single hydrogen bond, which involves the carboxyl group and the keto-O atom, has an ordered carboxyl-H atom and an OD...OA distance of 2.640 (1) A. The structure comprises two sets of hydrogen-bonded chains cross-linked by C-H...O interactions.
Department of Chemistry, Ohio State University, Columbus 43210, USA. gerkin@chemistry.ohio-state.edu
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Gerkin
D000085:Acetates / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D015394:Molecular Structure; D011763:Pyrrolizidine Alkaloids / Q000737:chemistry*
C117972:(hexahydro-5-oxo-1H-pyrrolizinyl-1-yl)acetic acid; D000085:Acetates; D011763:Pyrrolizidine Alkaloids