Information card for entry 2215443

Structure parameters

• Chemical name: 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethaneselenol
• Formula: C6 H9 N3 O2 Se
• Calculated formula: C6 H9 N3 O2 Se
• SMILES: [SeH]CCn1c(ncc1N(=O)=O)C
• Title of publication: 2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethaneselenol
• Authors of publication: Zhao, Hui; Gong, Hai-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4096 - o4096
• a: 12.079 ± 0.002 Å
• b: 11.089 ± 0.002 Å
• c: 6.38 ± 0.0013 Å
• α: 90°
• β: 97.57 ± 0.03°
• γ: 90°
• Cell volume: 847.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1237
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No