Information card for entry 2215103

Structure parameters

• Common name: Adnan620
• Chemical name: 5-Hydrazino-1,3-dimethyl-4-nitro-1H-pyrazole
• Formula: C5 H9 N5 O2
• Calculated formula: C5 H9 N5 O2
• SMILES: O=N(=O)c1c(nn(c1NN)C)C
• Title of publication: 5-Hydrazino-1,3-dimethyl-4-nitro-1<i>H</i>-pyrazole
• Authors of publication: Abu-Safieh, Kayed A.; Khanfer, Monther; Al-Far, Rawhi; Ali, Basem Fares; Maichle-Moessmer, C.; Abu-Rayyan, Ahmad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3814 - o3815
• a: 8.3129 ± 0.0003 Å
• b: 14.34 ± 0.003 Å
• c: 12.869 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1534.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes