Information card for entry 7220202

Structure parameters

• Formula: C10 H10 N6 O2
• Calculated formula: C10 H10 N6 O2
• SMILES: c1(nonc1C1CC1)/N=N/c1c(C2CC2)non1
• Title of publication: A Practical Anodic Oxidation of Aminofurazans to Azofurazans: an environmentally friendly route
• Authors of publication: Sheremetev, Aleksei B.; Lyalin, Boris V.; Kozeev, Andrei M.; Palysaeva, Nadezhda V.; Struchkova, Marina I.; Suponitsky, Kyrill
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.6654 ± 0.0005 Å
• b: 9.6969 ± 0.0006 Å
• c: 15.2346 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1132.4 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No