Information card for entry 2200591

Structure parameters

• Common name: 2-cyano-2'-nitrodiazoaminobenzene
• Chemical name: 2-cyano-2'-nitrodiazoaminobenzene
• Formula: C13 H9 N5 O2
• Calculated formula: C13 H9 N5 O2
• SMILES: O=N(=O)c1c(NN=Nc2c(cccc2)C#N)cccc1
• Title of publication: 2-Cyano-2'-nitrodiazoaminobenzene
• Authors of publication: O'Brien, John G.; Grousnick, Katherine E.; Baughman, Russell G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o919 - o921
• a: 7.208 ± 0.001 Å
• b: 8.0106 ± 0.0012 Å
• c: 12.256 ± 0.002 Å
• α: 79.099 ± 0.007°
• β: 74.695 ± 0.004°
• γ: 69.379 ± 0.006°
• Cell volume: 635.2 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections: 0.1963
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No