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16α-Hydroxyfriedelin and 3-Oxo-16-methylfriedel-16-ene as Building Blocks : Crystal Structure and Hirshfeld Surfaces Decoding Intermolecular Contacts
Joint Authors
de Oliveira, Djalma M.
Ellena, Javier
Silva, Grácia D. F.
Duarte, Lucienir P.
Corrêa, Rodrigo S.
Doriguetto, Antônio C.
Source
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-6, 6 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-10-24
Country of Publication
Egypt
No. of Pages
6
Main Subjects
Abstract EN
In this paper the importance of C–H⋯O intermolecular hydrogen bonds and van der Waals forces in crystal packing stabilization of 16α-hydroxyfriedelin (1) and 3-oxo-16-methylfriedel-16-ene (2) is described.
Compound 1 is a natural product isolated from the hexane extract of Salacia elliptica branches, whereas compound 2 is obtained from compound 1 after dehydration accompanied by methyl migration of C-17 to C-16.
The single-crystal X-ray diffraction experiments for 1 and 2 were carried out at 150 K, and the crystallographic study demonstrated that these compounds crystallize in noncentrosymmetric space groups, with 1 showing an orthorhombic P212121 space group and 2 a monoclinic P21 one.
Compounds 1 and 2 are composed of five fused six-membered rings presenting a chair conformation, except for the central ring of 2, which adopts a half-chair conformation.
In addition, the intra- and intermolecular parameters were studied using CCDC MOGUL analyses and Hirshfeld surfaces.
American Psychological Association (APA)
Corrêa, Rodrigo S.& Duarte, Lucienir P.& Silva, Grácia D. F.& de Oliveira, Djalma M.& Ellena, Javier& Doriguetto, Antônio C.. 2013. 16α-Hydroxyfriedelin and 3-Oxo-16-methylfriedel-16-ene as Building Blocks : Crystal Structure and Hirshfeld Surfaces Decoding Intermolecular Contacts. Journal of Crystallography،Vol. 2013, no. 2013, pp.1-6.
https://search.emarefa.net/detail/BIM-479771
Modern Language Association (MLA)
Corrêa, Rodrigo S.…[et al.]. 16α-Hydroxyfriedelin and 3-Oxo-16-methylfriedel-16-ene as Building Blocks : Crystal Structure and Hirshfeld Surfaces Decoding Intermolecular Contacts. Journal of Crystallography No. 2013 (2013), pp.1-6.
https://search.emarefa.net/detail/BIM-479771
American Medical Association (AMA)
Corrêa, Rodrigo S.& Duarte, Lucienir P.& Silva, Grácia D. F.& de Oliveira, Djalma M.& Ellena, Javier& Doriguetto, Antônio C.. 16α-Hydroxyfriedelin and 3-Oxo-16-methylfriedel-16-ene as Building Blocks : Crystal Structure and Hirshfeld Surfaces Decoding Intermolecular Contacts. Journal of Crystallography. 2013. Vol. 2013, no. 2013, pp.1-6.
https://search.emarefa.net/detail/BIM-479771
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-479771