6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide

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Abstract

The racemic mixture of the title compound, C19H19NO3S, crystallizes in space group P1 with two homochiral molecules in each asymmetric unit. The sevenmembered ring in both molecules is in a pucker-chair conformation. The extended structure exhibits C-HO hydrogen bonds, of which two connect crystallographically independent molecules to generate a chain propagating along the b-axis direction. One C-H grouping of the cyclopropyl ring is in close contact with the phenyl ring of the neighboring independent molecule in C-H π type interactions with carbon atom-ring-centroid distances of 3.544 (5) and 3.596 (4) Å. Other interactions are of the parallel-reciprocal type, with the chiral carbon atom of one molecule donating a proton to an oxygen atom of the sulfone group of a symmetry-related molecule and vice-versa. Symmetry-related molecular pairs also exhibit T-type interactions between aromatic rings with interplanar angles of 74.2 (2) and 69.2 (2)° and intercentroid distances of 4.965 (4) and 5.114 (4) Å.

Original languageEnglish (US)
Article numberx230937
JournalIUCrData
Volume8
Issue numberPt 10
DOIs
StatePublished - Oct 31 2023

All Science Journal Classification (ASJC) codes

  • Analytical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

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