Information card for entry 2008924

Structure parameters

• Chemical name: 3-Chloro-1-(4-nitro-5-piperidinylimidazolyl)propan-2-ol
• Formula: C11 H17 Cl N4 O3
• Calculated formula: C11 H17 Cl N4 O3
• SMILES: n1(cnc(c1N1CCCCC1)N(=O)=O)CC(CCl)O
• Title of publication: Azole. 42. Über Nitropiperidinoimidazolderivate
• Authors of publication: Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1562 - 1565
• a: 10.763 ± 0.001 Å
• b: 16.052 ± 0.002 Å
• c: 16.634 ± 0.002 Å
• α: 75.87 ± 0.01°
• β: 82.88 ± 0.01°
• γ: 89.91 ± 0.01°
• Cell volume: 2764.1 ± 0.6 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: 0.06
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No