J. Maurin, Z. Czarnocki, K. Wojtasiewicz
Jun 3, 2002
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Journal
Journal of Molecular Structure
Abstract
Abstract Crystal and molecular structures of (2R,3R)-1-methyl-5-oxo-2-phenyltetrahydro-1H-pyrrole-3-carboxylic acid (I) and (2R∗,3R∗)-1-methyl-5-oxo-2-phenyltetrahydro-1H-pyrrole-3-carboxylic acid (II) are presented. The alternative packings were studied using ab initio quantum-chemical methods. Energies of hydrogen bonds for real and model cases are discussed. Infinite chains of molecules instead of carboxylic acid dimers were observed.