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 language | English (US) |
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Article number | x230937 |
Journal | IUCrData |
Volume | 8 |
Issue number | Pt 10 |
DOIs | |
State | Published - Oct 31 2023 |
All Science Journal Classification (ASJC) codes
- Analytical Chemistry
- Organic Chemistry
- Inorganic Chemistry