Information card for entry 2223269

Structure parameters

• Common name: Ns-Diala-amidopropylbromide
• Chemical name: <i>N</i>-{1-[(3-Bromopropyl)aminocarbonyl]ethyl}-2-(2- nitrobenzenesulfonamido)propionamide
• Formula: C15 H21 Br N4 O6 S
• Calculated formula: C15 H21 Br N4 O6 S
• SMILES: BrCCCNC(=O)[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccccc1N(=O)=O)C)C
• Title of publication: <i>N</i>-{1-[(3-Bromopropyl)aminocarbonyl]ethyl}-2-(2-nitrobenzenesulfonamido)propionamide
• Authors of publication: Thirupathi, Ravula; Reddy, Damodara N.; Brinda, S.; Prabhakaran, Erode N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2308 - o2309
• a: 9.4467 ± 0.0004 Å
• b: 12.7438 ± 0.0005 Å
• c: 17.3257 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2085.79 ± 0.15 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes