Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)

• Published in: Acta crystallographica. Section E, Crystallographic communications Vol. 73; no. Pt 5; pp. 763 - 766
• Main Authors: Bankeu Kezetas, Jean Jules, Dietagoum Madjouka, Stéphanie, Kumar, Rajesh, Ali, Muhammad Shaiq, Lenta Njakou, Bruno, Yousuf, Sammer
• Format: Journal Article
• Language: English
• Published: England International Union of Crystallography 01-05-2017
• Subjects: crystal structure; Hirshfeld surface analysis; Nauclea pobeguiniia; pentacyclic triterpene; quafrinoic acid; Research Communications; crystal structure; Nauclea pobeguiniia; Hirshfeld surface analysis; penta­cyclic triterpene; quafrinoic acid
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989017006077

The title compound, C
H
O
, is a penta-cyclic triterpene isolated from the Cameroonian medicinal plant
and known as quafrinoic acid. The mol-ecule is composed of five fused six-membered rings, four of which adopt a chair conformation and one a half-chair conformation. Intra-molecular C-H⋯O hydrogen-bond inter-actions exist, which generate
6 and
8 rings. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, linking
(8) rings into chains running parallel to the
axis; these chains are further connected into layers parallel to the
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%) inter-actions.