Synthesis, molecular structure and vibrational spectra of 1,3-bis(1-adamantyl)-2-phenylpropan-1,3-diones

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F70883521%3A28140%2F15%3A43873054" target="_blank" >RIV/70883521:28140/15:43873054 - isvavai.cz</a>
Alternative codes found
RIV/70883521:28610/15:43873054 RIV/70883521:28110/15:43873054 RIV/00216224:14310/15:00112209
Result on the web
<a href="http://www.sciencedirect.com/science/article/pii/S0022286014012800" target="_blank" >http://www.sciencedirect.com/science/article/pii/S0022286014012800</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molstruc.2014.12.074" target="_blank" >10.1016/j.molstruc.2014.12.074</a>

Result language
angličtina
Original language name
Synthesis, molecular structure and vibrational spectra of 1,3-bis(1-adamantyl)-2-phenylpropan-1,3-diones
Original language description
The interest in the oxo-enol tautomerism of 1,3-dioxo compounds is justified by their usefulness in many synthetic fields. A series of new 1,3-bis(1-adamantyl)propan-1,3-diones with a variably substituted phenyl ring at the C2 position was prepared either by the reaction of an appropriate Grignard reagent with adamatane-1-carbonyl chloride or by SEAr on the unsubstituted 1,3-bis(1-adamantyl)-2-phenylpropan-1,3-dione. In addition to the single crystal X-ray diffraction analysis of three of the prepared compounds, the experimental 1H and 13C NMR, IR and Raman spectroscopic data were assigned and compared to those obtained by DFT computations. In the solid state, the syn-dioxo forms were exclusively observed, which are shown to also predominate in CHCl3 solutions. The analysis of the Hirshfeld surface revealed that HMIDLINE HORIZONTAL ELLIPSISH and OMIDLINE HORIZONTAL ELLIPSISH contacts dominate the intermolecular interactions in the solid state, whereas ?MIDLINE HORIZONTAL ELLIPSIS? stac
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CD - Macromolecular chemistry
OECD FORD branch
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Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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