Information card for entry 2207611

Structure parameters

• Chemical name: (R)-(+)-3-Chloro-1-(4-morpholino-5-nitro-1H-imidazol-1-yl)propan-2-ol
• Formula: C10 H15 Cl N4 O4
• Calculated formula: C10 H15 Cl N4 O4
• SMILES: n1(cnc(c1N(=O)=O)N1CCOCC1)C[C@H](CCl)O
• Title of publication: (<i>R</i>)-(+)-3-Chlor-1-(4-morpholino-5-nitro-1<i>H</i>-imidazol-1-yl)propan-2-ol
• Authors of publication: Gzella, Andrzej; Zwawiak, Justyna; Zaprutko, Lucjusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4071 - o4072
• a: 9.6835 ± 0.0016 Å
• b: 5.2925 ± 0.0013 Å
• c: 12.823 ± 0.002 Å
• α: 90°
• β: 106.47 ± 0.015°
• γ: 90°
• Cell volume: 630.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No