Information card for entry 2005358

Structure parameters

• Chemical name: Acetone 4,4-Dimethyl-2-pyrazoline-5-one-3ylhydrazone
• Formula: C8 H14 N4 O
• Calculated formula: C8 H14 N4 O
• SMILES: CC(=NNC1=NNC(=O)C1(C)C)C
• Title of publication: Acetone 4,4-Dimethyl-5-oxo-2-pyrazolin-3-ylhydrazone
• Authors of publication: Meyers, C. Y.; Lutfi, H. G.; Kolb, V. M.; Hou, Y.; Robinson, P. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2367 - 2370
• a: 8.956 ± 0.002 Å
• b: 10.322 ± 0.002 Å
• c: 5.905 ± 0.002 Å
• α: 101.04 ± 0.02°
• β: 95.46 ± 0.02°
• γ: 68.42 ± 0.02°
• Cell volume: 498 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 1.93
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No