Information card for entry 2213004

Structure parameters

• Chemical name: N,N,N',N'-Tetramethylethane-1,2-diamine‒N-hydroxybenzensulfonamide (1/2)
• Formula: C18 H30 N4 O6 S2
• Calculated formula: C18 H30 N4 O6 S2
• SMILES: CN(CCN(C)C)C.ONS(=O)(=O)c1ccccc1.ONS(=O)(=O)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethane-1,2-diamine‒<i>N</i>-hydroxybenzensulfonamide (1/2): an adduct of Piloty's acid
• Authors of publication: Arulsamy, Navamoney; Bohle, D. Scott; Hoen, Eric
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1609 - o1610
• a: 8.1452 ± 0.0015 Å
• b: 5.3296 ± 0.0009 Å
• c: 27.203 ± 0.004 Å
• α: 90°
• β: 96.268 ± 0.01°
• γ: 90°
• Cell volume: 1173.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes