Information card for entry 2012951

Structure parameters

• Chemical name: 1,1'-di(hydrazinopropanoyl)-2,2'-biimidazole
• Formula: C12 H18 N8 O2
• Calculated formula: C12 H18 N8 O2
• SMILES: NNC(=O)CCn1ccnc1c1nccn1CCC(=O)NN
• 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: 10.0505 ± 0.0005 Å
• b: 4.9326 ± 0.0002 Å
• c: 15.4663 ± 0.0007 Å
• α: 90°
• β: 106.904 ± 0.003°
• γ: 90°
• Cell volume: 733.61 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0495
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes