Information card for entry 7100680

Structure parameters

• Common name: potassium 4-acetamidophenyl sulfate
• Formula: C8 H10 K N O6 S
• Calculated formula: C8 H10 K N O6 S
• SMILES: [K+].S(=O)(=O)(Oc1ccc(NC(=O)C)cc1)[O-].O
• 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: 6.7995 ± 0.0005 Å
• b: 6.9857 ± 0.0005 Å
• c: 12.1695 ± 0.0009 Å
• α: 89.062 ± 0.001°
• β: 81.383 ± 0.001°
• γ: 79.648 ± 0.001°
• Cell volume: 562.18 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No