Abstract
The title compound C20H20O4S, is polymorphic. In the tetragonal form, the molecule lies on a crystallographic twofold axis, while the monoclinic form has only approximate C 2 molecular symmetry. The greatest excursion from C 2 symmetry is in the orientation of the two phenyl rings; at 100 K, one of the rings is rotated −37.2 (3)° and the other by 46.9 (3)° from their symmetric (tetragonal) positions. There are only minor differences in the three-ring nucleus; the best molecular fit of the tetragonal and monoclinic forms, both at 100 K and excluding phenyl rings and H atoms, shows an r.m.s. deviation of 0.066 Å. Both forms have the same absolute configuration.
Highlights
In the tetragonal form, the molecule lies on a crystallographic twofold axis, while the monoclinic form has only approximate C2 molecular symmetry
The greatest excursion from C2 symmetry is in the orientation of the two phenyl rings; at 100 K, one of the rings is rotated À37.2 (3) and the other by 46.9 (3) from their symmetric positions
119.92 (12) 120 120 119.93 (13) 120 120 120.40 (14) 119.8 119.8 111.31 (11) 109.4 109.4 109.4 109.4 108 110.58 (10) 107.30 (10) 107.83 (11) 110.4 110.4 110.4 119.77 (12) 120.53 (12) 119.69 (12) 119.85 (14) 120.1 120.1 120.16 (14) 119.9 119.9 sup-5
Summary
In the tetragonal form, the molecule lies on a crystallographic twofold axis, while the monoclinic form has only approximate C2 molecular symmetry. The greatest excursion from C2 symmetry is in the orientation of the two phenyl rings; at 100 K, one of the rings is rotated À37.2 (3) and the other by 46.9 (3) from their symmetric (tetragonal) positions. There are only minor differences in the three-ring nucleus; the best molecular fit of the tetragonal and monoclinic forms, both at 100 K and excluding phenyl rings and H atoms, shows an r.m.s. deviation of 0.066 A. Both forms have the same absolute configuration
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