Information card for entry 2219375

Structure parameters

• Common name: 1,2-Bis(2-(2-nitro-1<i>H</i>-imidazol-1-yl)ethoxy)ethane
• Chemical name: 1,2-Bis(2-(2-nitro-1<i>H</i>-imidazol-1-yl)ethoxy)ethane
• Formula: C12 H16 N6 O6
• Calculated formula: C12 H16 N6 O6
• SMILES: N(=O)(=O)c1nccn1CCOCCOCCn1c(ncc1)N(=O)=O
• Title of publication: 1,2-Bis[2-(2-nitro-1<i>H</i>-imidazol-1-yl)ethoxy]ethane
• Authors of publication: Li, Shu-Xian; Zhu, Lin; Li, Hua-Min; Fun, Hoong-Kun; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1690
• a: 7.0534 ± 0.0001 Å
• b: 15.5792 ± 0.0002 Å
• c: 6.8069 ± 0.0001 Å
• α: 90°
• β: 99.56 ± 0.001°
• γ: 90°
• Cell volume: 737.597 ± 0.018 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0419
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes