Cargando…
Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)
The title compound, C(30)H(44)O(5), 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. Intr...
Autores principales: | , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418801/ https://www.ncbi.nlm.nih.gov/pubmed/28529793 http://dx.doi.org/10.1107/S2056989017006077 |
_version_ | 1783234118032556032 |
---|---|
author | Bankeu Kezetas, Jean Jules Dietagoum Madjouka, Stéphanie Kumar, Rajesh Ali, Muhammad Shaiq Lenta Njakou, Bruno Yousuf, Sammer |
author_facet | Bankeu Kezetas, Jean Jules Dietagoum Madjouka, Stéphanie Kumar, Rajesh Ali, Muhammad Shaiq Lenta Njakou, Bruno Yousuf, Sammer |
author_sort | Bankeu Kezetas, Jean Jules |
collection | PubMed |
description | The title compound, C(30)H(44)O(5), 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 R (2) (2)(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. |
format | Online Article Text |
id | pubmed-5418801 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-54188012017-05-19 Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid) Bankeu Kezetas, Jean Jules Dietagoum Madjouka, Stéphanie Kumar, Rajesh Ali, Muhammad Shaiq Lenta Njakou, Bruno Yousuf, Sammer Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(30)H(44)O(5), 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 R (2) (2)(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. International Union of Crystallography 2017-04-28 /pmc/articles/PMC5418801/ /pubmed/28529793 http://dx.doi.org/10.1107/S2056989017006077 Text en © Bankeu Kezetas et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Bankeu Kezetas, Jean Jules Dietagoum Madjouka, Stéphanie Kumar, Rajesh Ali, Muhammad Shaiq Lenta Njakou, Bruno Yousuf, Sammer Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid) |
title | Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid) |
title_full | Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid) |
title_fullStr | Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid) |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid) |
title_short | Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid) |
title_sort | crystal structure and hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418801/ https://www.ncbi.nlm.nih.gov/pubmed/28529793 http://dx.doi.org/10.1107/S2056989017006077 |
work_keys_str_mv | AT bankeukezetasjeanjules crystalstructureandhirshfeldsurfaceanalysisof3oxours12ene27a28dioicacidquafrinoicacid AT dietagoummadjoukastephanie crystalstructureandhirshfeldsurfaceanalysisof3oxours12ene27a28dioicacidquafrinoicacid AT kumarrajesh crystalstructureandhirshfeldsurfaceanalysisof3oxours12ene27a28dioicacidquafrinoicacid AT alimuhammadshaiq crystalstructureandhirshfeldsurfaceanalysisof3oxours12ene27a28dioicacidquafrinoicacid AT lentanjakoubruno crystalstructureandhirshfeldsurfaceanalysisof3oxours12ene27a28dioicacidquafrinoicacid AT yousufsammer crystalstructureandhirshfeldsurfaceanalysisof3oxours12ene27a28dioicacidquafrinoicacid |