Information card for entry 2227219

Structure parameters

• Chemical name: 1-(2,2-Dimethoxyethyl)-8-nitro-1,2,3,5,6,7- hexahydroimidazo[1,2-<i>a</i>]pyridin-5-ol
• Formula: C11 H19 N3 O5
• Calculated formula: C11 H19 N3 O5
• SMILES: N1(C2N(C(O)CCC=2N(=O)=O)CC1)CC(OC)OC
• Title of publication: 1-(2,2-Dimethoxyethyl)-8-nitro-1,2,3,5,6,7-hexahydroimidazo[1,2-<i>a</i>]pyridin-5-ol
• Authors of publication: Tian, Zhongzhen; Wang, Gaolei; Dong, Haijun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2451
• a: 11.2337 ± 0.0006 Å
• b: 9.0903 ± 0.0003 Å
• c: 14.2618 ± 0.0007 Å
• α: 90°
• β: 113.124 ± 0.006°
• γ: 90°
• Cell volume: 1339.37 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes