Abstract
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 language | English (US) |
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Pages (from-to) | 787-793 |
Number of pages | 7 |
Journal | Journal of Chemical Crystallography |
Volume | 33 |
Issue number | 10 |
DOIs | |
State | Published - Oct 1 2003 |
Keywords
- Benzene solvate
- Ethanol solvate
- Hydrogen bonding
- Hydrophobic region
- Neotame
- Synchrotron diffraction