Crystal structures of the benzene and ethanol solvates of neotame

Zedong Dong, Victor G. Young, Eric J. Munson, Steve A. Schroeder, Indra Prakash, David J.W. Grant

Research output: Contribution to journalArticlepeer-review

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The benzene and ethanol solvates of neotame crystallized from solutions of neotame anhydrate in benzene and ethanol, respectively. The crystal structures of the two solvates were determined by single-crystal X-ray diffraction using synchrotron radiation. The benzene solvate crystallizes in the monoclinic space group, P21, Z = 2, with one neotame molecule and one benzene molecule per asymmetric unit. The cell constants are a = 13.060 (6) Å, b = 5.582 (2) Å, c = 17.954 (9) Å, and β = 102.079 (15)°. The ethanol solvate crystallizes in the orthorhombic space group, P2 12121 with Z = 8 (Z′ = 2). The cell constants are a = 10.047 (4) Å, b = 17.001 (4) Å, and c = 28.948 (7) Å. Intermolecular hydrogen bonding among neotame molecules is evident in the two crystals. The benzene solvate has a nonpolar region containing the benzene molecules, with the benzene rings and alkyl chains of the neotame molecules.

Original languageEnglish (US)
Pages (from-to)787-793
Number of pages7
JournalJournal of Chemical Crystallography
Issue number10
StatePublished - Oct 1 2003


  • Benzene solvate
  • Ethanol solvate
  • Hydrogen bonding
  • Hydrophobic region
  • Neotame
  • Synchrotron diffraction

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