Information card for entry 2227460

Structure parameters

• Chemical name: 2-[(<i>E</i>)-2-(Nitromethylidene)imidazolidin-1-yl]ethanol
• Formula: C6 H11 N3 O3
• Calculated formula: C6 H11 N3 O3
• SMILES: C(CN1CCNC\1=C/N(=O)=O)O
• Title of publication: 2-[(<i>E</i>)-2-(Nitromethylidene)imidazolidin-1-yl]ethanol
• Authors of publication: Wang, Gaolei; Li, Dongmei; Li, He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2759
• a: 6.9422 ± 0.0002 Å
• b: 8.7142 ± 0.0003 Å
• c: 12.9698 ± 0.0004 Å
• α: 90°
• β: 94.153 ± 0.003°
• γ: 90°
• Cell volume: 782.56 ± 0.04 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes