Title of article
Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)
Author/Authors
Bankeu Kezetas, Jean Jules Department of Chemistry - Faculty of Science - The University of Bamenda, Cameroon , Dietagoum Madjouka, Stéphanie Department of Chemistry - Faculty of Science - University of Yaoundé I, Cameroon , Kumar, Rajesh H.E.J. Research Institute of Chemistry - International Center for Chemical and Biological Sciences - University of Karachi, Pakistan , Shaiq Ali, Muhammad H.E.J. Research Institute of Chemistry - International Center for Chemical and Biological Sciences - University of Karachi, Pakistan , Njakou, Bruno Lenta Department of Chemistry - Higher Teacher Training College - University of Yaounde I, Cameroon , Yousuf, Sammer H.E.J. Research Institute of Chemistry - International Center for Chemical and Biological Sciences - University of Karachi, Pakistan
Pages
12
From page
1
To page
12
Abstract
The title compound, C30H44O5, is a pentacyclic triterpene isolated from the Cameroonian medicinal plant Nauclea Pobeguinii and known as quafrinoic acid. The molecule is composed of five fused six-membered rings, four of which adopt a chair conformation and one a half-chair conformation. Intramolecular C—H⋯O hydrogen-bond interactions exist, which generate S6 and S8 rings. In the crystal, molecules are linked by pairs of O—H⋯O hydrogen bonds, linking R22(8) rings into chains running parallel to the a axis; these chains are further connected into layers parallel to the ab plane by C—H⋯O hydrogen bonds. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (79.4%) and O⋯H (20.4%) interactions.
Keywords
crystal structure , pentacyclic triterpene , quafrinoic acid , Nauclea pobeguiniia , Hirshfeld surface analysis
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2017
Record number
2621795
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