Information card for entry 8104589

Structure parameters

• Chemical name: <i>N</i>'-(butan-2-ylidene)pyridine-4-carbohydrazide hydrate
• Formula: C20 H28 N6 O3
• Calculated formula: C20 H28 N6 O3
• Title of publication: The crystal structure of (E)-N′-(butan-2-ylidene)isonicotinohydrazide 0.5 hydrate C10H13N3O·0.5H2O
• Authors of publication: Setshedi, Itumeleng B.; Lemmerer, Andreas; Smith, Mark G.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1295 - 1296
• a: 19.9676 ± 0.0019 Å
• b: 8.4674 ± 0.0007 Å
• c: 12.4082 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2097.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No