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X-Ray Crystal Structure

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Bassindale, Parker, Taylor, Aunerb and Herrschaft measured the x-ray crystal structure of four 1-(halodimethylsilylmethyl)-2-quinolinones to model the reaction profile for the nucleophilic substitution of silicon (66). They developed a method to obtain similar structural coordinates in the solution phases using 13C and 29Si NMR spectroscopy by preparing a series of 2-quinolinone analogues which can be analyzed by both x-ray crystallography and solution NMR, providing a new method of structural correlation. Because there was excellent agreement between the results obtained by the two different methods, the authors have demonstrated the validity of NMR spectroscopy of solutions for structural correlation with the results of x-ray crystallography.

Treatment of 2-quinolinone with diethylaminetrimethylsilane was used to prepare the corresponding trimethylsilyl derivative (67). This was reacted with chloro(chlormethyl)dimethylsilane to give the chloro derivative, and with (bromomethyl(chloro)methyl- silane to give the bromo derivative. The chloro derivative was treated with antimony trifluoride to give the fluoro derivative, and with trimethylsilyl triflate to give the triflato derivative.

The x-ray crystal structure of these compounds was determined on a one circle diffractometer, equipped with an imaging plate system as detector (70). Graphite monochromated Mo-K radiation (-0.71073 ?) was used. Data collection was performed in a rotation mode. The raw intensity data

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Some common words found in the essay are:
Aunerb Herrschaft, O-trimethylsilylated N-methylquinolin-2-one, Tjandra Bax, Nikonowicz Gorenstein, Gorenstein David, Bax Ad, nmr spectroscopy, x-ray crystallography, bond formation, Chemical Society, nucleophilic substitution, chemical shift, si-o bond, Organometallic Chemistry, si-o bond formation, nucleophilic substitution silicon, structural correlation, crystallography nmr, x-ray crystal, substitution silicon, x-ray crystallography nmr, Taylor Aunerb, Parker Taylor, tandem g-a mismatched, percentage si-o bond,
Approximate Word count = 994
Approximate Pages = 4 (250 words per page)

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