Information card for entry 2220571

Structure parameters

• Chemical name: 5-(1<i>H</i>-Imidazol-1-ylsulfonyl)-<i>N</i>,<i>N</i>-dimethylnaphthalen-1-amine
• Formula: C15 H15 N3 O2 S
• Calculated formula: C15 H15 N3 O2 S
• SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)n1ccnc1
• Title of publication: 5-(1<i>H</i>-Imidazol-1-ylsulfonyl)-<i>N</i>,<i>N</i>-dimethylnaphthalen-1-amine
• Authors of publication: Teng, Lei; Zhang, Yong; Zhang, Shi-lei; Qu, Yuan; Xia, Xian-you
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o55
• a: 16.3707 ± 0.0016 Å
• b: 7.7928 ± 0.0007 Å
• c: 22.088 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2817.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes