Information card for entry 2223317

Structure parameters

• Chemical name: 1-[(6-Chloro-3-pyridyl)methyl]-5-ethoxy-8-nitro-1,2,3,5,6,7- hexahydroimidazo[1,2-<i>a</i>]pyridine
• Formula: C15 H19 Cl N4 O3
• Calculated formula: C15 H19 Cl N4 O3
• SMILES: Clc1ncc(CN2CCN3C2=C(N(=O)=O)CCC3OCC)cc1
• Title of publication: 1-[(6-Chloro-3-pyridyl)methyl]-5-ethoxy-8-nitro-1,2,3,5,6,7-hexahydroimidazo[1,2-<i>a</i>]pyridine
• Authors of publication: Tian, Zhongzhen; Li, Dongmei; Li, Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2517
• a: 17.021 ± 0.003 Å
• b: 5.5737 ± 0.0008 Å
• c: 18.334 ± 0.003 Å
• α: 90°
• β: 112.097 ± 0.003°
• γ: 90°
• Cell volume: 1611.6 ± 0.5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes