Syntheses and crystal structures of two di-naph-tho[2,1-:1',2'-][1,3]dithiepine atropisomers.

Acta Crystallogr E Crystallogr Commun

Department of Chemistry, University of Otago, PO Box 56, Dunedin 9054, New Zealand.

Published: January 2023

The closely related title compounds, 1-(di-naphtho-[2,1-:1',2'-][1,3]dithiepin-4-yl)-2,2-di-methyl-propan-1-ol, CHOS, and 2-(di-naphtho-[2,1-:1',2'-][1,3]dithiepin-4-yl)-3,3-di-methyl-butan-2-ol, CHOS, , both comprise an atrop-isomeric binaphthyl di-thio-acetal unit substituted at the methyl-ene carbon atom with a chiral neopentyl alcohol grouping. The overall stereochemistry of the racemate in each case is defined as and . In , the hydroxyl group generates inversion dimers pairwise inter-molecular O-H⋯S hydrogen bonds whereas in , the O-H⋯S link is intra-molecular. Weak C-H⋯π inter-actions link the mol-ecules into extended arrays in both structures.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9912471PMC
http://dx.doi.org/10.1107/S2056989023000476DOI Listing

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