Information card for entry 7100686

Structure parameters

• Common name: 4-iodophenyl sulfamate
• Formula: C6 H6 I N O3 S
• Calculated formula: C6 H6 I N O3 S
• SMILES: Ic1ccc(OS(=O)(=O)N)cc1
• Title of publication: Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer
• Authors of publication: Spencer Williams; Emma Denehy; Jonathan M. White
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 22.457 ± 0.006 Å
• b: 8.135 ± 0.002 Å
• c: 4.7648 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 870.5 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No