(R)-2-hydroxy-3-iodo-2-methylpropyl 4-nitrobenzenesulfonate.
The global minimum conformation, as computed by PCMODEL [Gajewski & Gilbert (1992). Serena Software, Bloomington, IN, USA], of the title compound agrees with that observed in the crystal. In the crystal, the torsion angles I--CH2--C--CH2O, ICH2--C--CH2--O, C--CH2--O--S and CH2--O--S--C are -57.7 (4), -61.7 (4), 171.2 (2) and -73.0 (3) degrees, respectively. Weak intermolecular hydrogen bonding connects OO--H and OS = O with an O ... O distance of 2.927 (4) A and an angle about the H atom of 165 (4) degrees.
Sun
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Department of Chemistry, Louisiana State University, Baton Rouge 70803-1804.
Fronczek
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Gandour
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RD
D001557:Benzenesulfonates / Q000737:chemistry*; D003460:Crystallization; D005583:Fourier Analysis; D006860:Hydrogen Bonding; D008956:Models, Chemical; D008968:Molecular Conformation
D001557:Benzenesulfonates; C084206:2-hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate