Information card for entry 2019215

Structure parameters

• Common name: <i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide
• Chemical name: 2-Methyl-6-{[(2,4,6-trimethylbenzene)sulfonyl]azanidyl}pyridin-1-ium
• Formula: C15 H18 N2 O2 S
• Calculated formula: C15 H18 N2 O2 S
• SMILES: S(=O)(=O)(N=c1[nH]c(ccc1)C)c1c(cc(cc1C)C)C
• Title of publication: A new polymorph of <i>N</i>-(6-methylpyridin-2-yl)mesitylenesulfonamide
• Authors of publication: Pan, Fangfang; Englert, Ulli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1217 - 1220
• a: 7.9753 ± 0.0011 Å
• b: 8.1446 ± 0.0011 Å
• c: 11.7776 ± 0.0016 Å
• α: 86.829 ± 0.003°
• β: 81.6 ± 0.003°
• γ: 67.124 ± 0.003°
• Cell volume: 697.29 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No