ArticleActa crystallographica. Section E, Structure reports online2013
Pyramidalization of a carbonyl C atom in (2S)-N-(seleno-acet-yl)proline methyl ester.
Article in Acta crystallographica. Section E, Structure reports online, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
6 citing papers in PubMed.
- Article
- Reconciling Electrostatic and n→π* Orbital Contributions in Carbonyl Interactions.Angewandte Chemie (International ed. in English) · 2020Article
- n→π* Interactions Modulate the Properties of Cysteine Residues and Disulfide Bonds in Proteins.Journal of the American Chemical Society · 2018Article
- The n→π* Interaction.Accounts of chemical research · 2017Article
- n→π* interactions engender chirality in carbonyl groups.Organic letters · 2014Article
- n→π* interactions of amides and thioamides: implications for protein stability.Journal of the American Chemical Society · 2013Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
Abstract
The title compound, C8H13NO2Se, crystallizes as a non-merohedral twin with an approximate 9:1 component ratio with two symmetry-independent mol-ecules in the asymmetric unit. Our density-functional theory (DFT) computations indicate that the carb-oxy C atom is expected to be slightly pyramidal due to an n→ π* inter-action, wherein the lone pair (n) of the Se atom overlap with the anti-bonding orbital (π*) of the carbonyl group. Such pyramidalization is observed in one mol-ecule of the title compound but not the other.
Identifiers
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Registered trials
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