Information card for entry 4510115

Structure parameters

• Formula: C15 H19 I N2 O2 S
• Calculated formula: C15 H19 I N2 O2 S
• SMILES: [I-].S(=O)(=O)(Nc1[nH+]c(ccc1)C)c1c(cc(cc1C)C)C
• Title of publication: N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides
• Authors of publication: Pan, Fangfang; Englert, Ulli
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1057
• a: 8.6615 ± 0.0013 Å
• b: 9.2005 ± 0.0014 Å
• c: 11.4927 ± 0.0017 Å
• α: 95.719 ± 0.002°
• β: 107.982 ± 0.002°
• γ: 101.265 ± 0.002°
• Cell volume: 841.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No