Information card for entry 2012950

Structure parameters

• Chemical name: 1,1'-di(hydrazinoethanoyl)2,2'-biimidazole monohydrate
• Formula: C10 H16 N8 O3
• Calculated formula: C10 H16 N8 O3
• SMILES: NNC(=O)Cn1ccnc1c1nccn1CC(=O)NN.O
• Title of publication: 1,1'-Di(hydrazinocarbonylmethyl)-2,2'-biimidazole monohydrate and 1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole
• Authors of publication: Barnett, W. Mark; Baughman, Russell G.; Secondo, Paula M.; Hermansen, Charles J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o565 - o567
• a: 9.7451 ± 0.0003 Å
• b: 9.7451 ± 0.0003 Å
• c: 14.1764 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1346.29 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections: 1.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No