Synthesis, spectroscopic and crystallographic studies of (1RS,2SR)-1-(2-carboxy-4-methyl-5-methoxyphenyl)-1,2-dimethyl-cyclopentane-2-carboxylic acid: supramolecular framework built from O—H…O and C—H…O hydrogen bonds

Swastik Mondal; Monika Mukherjee; Tapas Paul; Debabrata Mukherjee

doi:10.1524/zkri.219.7.456.35642

Article

Synthesis, spectroscopic and crystallographic studies of (1RS,2SR)-1-(2-carboxy-4-methyl-5-methoxyphenyl)-1,2-dimethyl-cyclopentane-2-carboxylic acid: supramolecular framework built from O—H…O and C—H…O hydrogen bonds

Swastik Mondal , Monika Mukherjee , Tapas Paul and Debabrata Mukherjee

Published/Copyright: September 25, 2009

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From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 219 Issue 7

Abstract

The bicyclic carboxylic acid, C₁₇H₂₂O₅, a potential intermediate in the synthesis of bioactive δ-cuparenol has been prepared and characterized by spectroscopic and X-ray studies. The structure derived from the NMR data, the infrared spectra and the chemical analysis is consistent with that of single crystal X-ray analysis. The molecules in the title compound are linked into a three dimensional framework by O—H…O and C—H…O intermolecular hydrogen bonds. The supramolecular assembly of molecules exhibits R₄⁴(23) rings. The conformational analysis of the molecule as investigated by the semi-empirical quantum mechanical AM1 calculations shows a good agreement with the X-ray structure.

Published Online: 2009-9-25

Published in Print: 2004-7-1

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https://doi.org/10.1524/zkri.219.7.456.35642