Information card for entry 7100679

Structure parameters

• Common name: 4-methoxyphenyl sulfamate
• Formula: C7 H9 N O4 S
• Calculated formula: C7 H9 N O4 S
• SMILES: S(=O)(=O)(Oc1ccc(OC)cc1)N
• 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: 4.9816 ± 0.0004 Å
• b: 7.0344 ± 0.0005 Å
• c: 25.1874 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 882.63 ± 0.11 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No