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- Title
Crystal structures of the benzene and ethanol solvates of neotame.
- Authors
Dong, Zedong; Young Jr., Victor G.; Munson, Eric J.; Schroeder, Steve A.; Prakash, Indra; Grant, David J. W.
- 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, P2[SUB1], 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[SUB1]2[SUB1]2[SUB1] 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.
- Subjects
CRYSTALLIZATION; X-ray diffraction; SPACE groups; MATHEMATICAL crystallography; HYDROGEN bonding; MOLECULAR association
- Publication
Journal of Chemical Crystallography, 2003, Vol 33, Issue 10, p787
- ISSN
1074-1542
- Publication type
Article