Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/12970
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Silva, Manuela Ramos | - |
dc.contributor.author | Moreira, Vânia M. | - |
dc.contributor.author | Cardoso, Cláudia | - |
dc.contributor.author | Beja, Ana Matos | - |
dc.contributor.author | Salvador, Jorge A. R. | - |
dc.date.accessioned | 2010-04-12T08:39:59Z | - |
dc.date.available | 2010-04-12T08:39:59Z | - |
dc.date.issued | 2009-03 | - |
dc.identifier.citation | Acta Crystallographica Section C: Crystal Structure Communications. 65:3 (2009) o88-o91 | en_US |
dc.identifier.issn | 0108-2701 | - |
dc.identifier.uri | https://hdl.handle.net/10316/12970 | - |
dc.description.abstract | The title compounds, C24H30N2O3, (I), and C24H34N2O3, (II), both contain an androstane backbone and a 2-methylimidazole-1-carboxylate moiety at the 17-position. Compound (I) contains two symmetry-independent molecules (denoted 1 and 2), while compound (II) contains just one molecule in the asymmetric unit. The C-C-O-C torsion angle that reflects the twisting of the 2-methylimidazole-1-carboxylate moiety from the mean steroid plane is 143.1 (2)° for molecule 1 of (I), 73.1 (3)° for molecule 2 of (I) and 86.63 (17)° for (II). The significance of this study lies in its observation of significant differences in both molecular conformation and supramolecular aggregation between the molecules of the title compounds. The solid-state conformations compared with those obtained theoretically from ab initio methods for the isolated molecules show large differences, especially in the orientation of the methylimidazole substituent | en_US |
dc.language.iso | eng | en_US |
dc.publisher | International Union of Crystallography | en_US |
dc.rights | openAccess | en_US |
dc.title | 3-Oxoandrosta-4,6-dien-17[beta]-yl 2-methyl-1H-imidazole-1-carboxylate and 3-oxo-5[alpha]-androst-17[beta]-yl 2-methyl-1H-imidazole-1-carboxylate: C-H...[pi] and [pi]-[pi] intermolecular interactions | en_US |
dc.type | article | en_US |
degois.publication.firstPage | o88 | en_US |
degois.publication.lastPage | o91 | en_US |
degois.publication.issue | 65 | en_US |
degois.publication.title | Acta Crystallographica Section C: Crystal Structure Communications | en_US |
item.fulltext | Com Texto completo | - |
item.grantfulltext | open | - |
item.languageiso639-1 | en | - |
item.cerifentitytype | Publications | - |
item.openairetype | article | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.orcid | 0000-0001-9555-8856 | - |
crisitem.author.orcid | 0000-0001-6169-5035 | - |
crisitem.author.orcid | 0000-0003-1449-5123 | - |
crisitem.author.orcid | 0000-0003-0779-6083 | - |
Appears in Collections: | FFUC- Artigos em Revistas Internacionais FCTUC Física - Artigos em Revistas Internacionais |
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3-Oxoandrosta-4,6-dien-17b-yl 2-methyl-1H-imidazole-1-carboxylate.pdf | 499.79 kB | Adobe PDF | View/Open |
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