Information card for entry 2011338

Structure parameters

• Chemical name: 3-Chloro-1-(5-morpholinyl-4-nitroimidazol-1-yl)propan-2-ol
• Formula: C10 H15 Cl N4 O4
• Calculated formula: C10 H15 Cl N4 O4
• SMILES: n1(cnc(c1N1CCOCC1)N(=O)=O)CC(CCl)O
• Title of publication: Azole. 44. Über Morpholinonitroimidazolderivate
• Authors of publication: Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1161 - 1163
• a: 6.5036 ± 0.0008 Å
• b: 7.8493 ± 0.0009 Å
• c: 12.9757 ± 0.0014 Å
• α: 91.101 ± 0.009°
• β: 101.026 ± 0.01°
• γ: 101.94 ± 0.01°
• Cell volume: 634.91 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No