2022
DOI: 10.1107/s2414314621013511
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[Sulfonylbis(bromomethylene)]dibenzene

Abstract: The title compound, C14H12Br2O2S, crystallizes as the meso isomer of a diastereoisomeric pair. This structure determination was key to determining that the 1,3 elimination of bromine by triphenylphosphine occurs with inversion of the configuration at each of the two chiral carbon atoms. In the crystal, the molecules are linked by weak C—H...O and C—H...Br hydrogen bonds.

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“…The C1-Br1 bond length in the present structure is 1.976 (5) A ˚, close to the mean of 1.950 (2) A ˚found for 11000 aliphatic C-Br bond lengths in the database. The only other sulfone in the database with a phenyl group on each �-C atom and a bromine atom on at least one of the �-C atoms is entry WAVWOJ (Corfield, 2022). That analysis resulted from a similar collaboration with the Bordwell laboratory.…”
Section: Structure Descriptionmentioning
confidence: 98%
“…The C1-Br1 bond length in the present structure is 1.976 (5) A ˚, close to the mean of 1.950 (2) A ˚found for 11000 aliphatic C-Br bond lengths in the database. The only other sulfone in the database with a phenyl group on each �-C atom and a bromine atom on at least one of the �-C atoms is entry WAVWOJ (Corfield, 2022). That analysis resulted from a similar collaboration with the Bordwell laboratory.…”
Section: Structure Descriptionmentioning
confidence: 98%