Information card for entry 2222101

Structure parameters

• Chemical name: <i>N</i>-(2-Aminoethyl)-5-(dimethylamino)naphthalene-1-sulfonamide
• Formula: C14 H19 N3 O2 S
• Calculated formula: C14 H19 N3 O2 S
• SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCN
• Title of publication: <i>N</i>-(2-Aminoethyl)-5-(dimethylamino)naphthalene-1-sulfonamide
• Authors of publication: Zhang, Shi-lei; Zhao, Bi-lin; Su, Zhen-hong; Xia, Xian-you; Zhang, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1452
• a: 15.5221 ± 0.0015 Å
• b: 11.5423 ± 0.0011 Å
• c: 8.136 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1457.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes