Information card for entry 2225407

Structure parameters

• Chemical name: Ethyl <i>N</i>-[3-(<i>N</i>,<i>N</i>-dimethylcarbamoyl)pyridin-2-ylsulfonyl]carbamate
• Formula: C11 H15 N3 O5 S
• Calculated formula: C11 H15 N3 O5 S
• SMILES: CCOC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C
• Title of publication: Ethyl <i>N</i>-[3-(<i>N</i>,<i>N</i>-dimethylcarbamoyl)pyridin-2-ylsulfonyl]carbamate
• Authors of publication: Hou, Yan-Jun; Chu, Wen-Yi; Sui, Jun; Sun, Zhi-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o707
• a: 8.437 ± 0.0011 Å
• b: 11.1141 ± 0.0015 Å
• c: 15.074 ± 0.002 Å
• α: 90°
• β: 100.594 ± 0.002°
• γ: 90°
• Cell volume: 1389.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes