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http://cicy.repositorioinstitucional.mx/jspui/handle/1003/1302| 17-Acetoxymulinic acid | |
| IVÁN BRITO BOBADILLA JORGE BÓRQUEZ RAMÍREZ JOSELYN ALBANEZ MICHAEL BOLTE LUIS MANUEL PEÑA RODRIGUEZ | |
| Acceso Abierto | |
| Atribución-NoComercial-SinDerivadas | |
| 10.1107/S1600536810032952 | |
| SINGLE-CRYSTAL X-RAY STUDY T = 173 K; MEAN (C–C) = 0.008 A˚ DISORDER IN MAIN RESIDUE R FACTOR = 0.055 WR FACTOR = 0.137 DATA-TO-PARAMETER RATIO = 7.8. | |
| The title compound, [systematic name: 5a-acetoxymethyl-3-isopropyl-8-methyl-1,2,3,3a,4,5,5a,6,7,10,10a,10b-dodecahydro-7,10-endo-epidioxycyclohepta[e]indene-3a-carboxylic acid], C22H32O6 (I), is closely related to methyl 5a-acetoxymethyl-3-isopropyl-8-methyl-1,2,3,3a,4,5,5a,6,7,10,10a,10b-dodecahydro-7,10-endo-epidioxycyclohepta[e]indene-3a-carboxylate, (II) [Brito et al., (2008 ▶). Acta Cryst. E64, o1209]. There are two molecules in the asymmetric unit, which are linked by two strong intramolecular O—H⋯O hydrogen bonds with graph-set motif R 2 2(8). In both (I) and (II), the conformation of the three fused rings are almost identical. The five-membered ring has an envelope conformation, the six-membered ring has a chair conformation and the seven-membered ring has a boat conformation. The most obvious differences between the two compounds is the observed disorder of the acetoxymethyl fragments in both molecules of the asymmetric unit of (I). This disorder is not observed in (II). The crystal structure and the molecular conformation is stabilized by intermolecular C—H⋯O hydrogen bonds. The ability to form hydrogen bonds is different in the two compounds. The crystal studied was a non-merohedral twin, the ratio of the twin components being 0.28 (1):0.72 (1) | |
| 2010 | |
| Artículo | |
| Acta Crystallographica Section E: Structure Reports Online, 66(9), o2452-o2453. | |
| Inglés | |
| Brito, I., Bórquez, J., Albanez, J., Bolte, M., & Peña-Rodríguez, L. M. (2010). 17-Acetoxymulinic acid. Acta Crystallographica Section E: Structure Reports Online, 66(9), o2452-o2453. | |
| BIOLOGÍA Y QUÍMICA | |
| Versión publicada | |
| publishedVersion - Versión publicada | |
| Aparece en las colecciones: | Artículos de Investigación Arbitrados |
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