Information card for entry 2022214

Structure parameters

• Chemical name: 3-Cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole
• Formula: C10 H11 N5 O
• Calculated formula: C10 H11 N5 O
• SMILES: o1nc(nc1c1cccnc1NN)C1CC1
• Title of publication: Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole
• Authors of publication: Shishkina, Svitlana V.; Konovalova, Irina S.; Karpina, Veronika R.; Kovalenko, Svitlana S.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• a: 8.4476 ± 0.001 Å
• b: 8.5662 ± 0.0008 Å
• c: 8.6125 ± 0.0008 Å
• α: 110.812 ± 0.009°
• β: 115.048 ± 0.011°
• γ: 92.854 ± 0.009°
• Cell volume: 512.82 ± 0.12 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: 0.0679
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes