title: (R)-2-hydroxy-3-iodo-2-methylpropyl 4-nitrobenzenesulfonate.
abstract: 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.
authors.affiliation: Department of Chemistry, Louisiana State University, Baton Rouge 70803-1804.
authors.forename: G
authors.initials: G
authors.lastname: Sun
authors.forename: F R
authors.initials: FR
authors.lastname: Fronczek
authors.forename: R D
authors.initials: RD
authors.lastname: Gandour
mesh_terms: D001557:Benzenesulfonates / Q000737:chemistry*; D003460:Crystallization; D005583:Fourier Analysis; D006860:Hydrogen Bonding; D008956:Models, Chemical; D008968:Molecular Conformation
chemical_list: D001557:Benzenesulfonates; C084206:2-hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate