Information card for entry 2015258

Structure parameters

• Chemical name: Di-tert-butyl ketone hydrazone
• Formula: C9 H20 N2
• Calculated formula: C9 H20 N2
• SMILES: NN=C(C(C)(C)C)C(C)(C)C
• Title of publication: Di-<i>tert</i>-butyl ketone hydrazone and di-<i>tert</i>-butyl ketone triphenylphosphoranylidenehydrazone
• Authors of publication: Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o234 - o236
• a: 11.5299 ± 0.0008 Å
• b: 8.0975 ± 0.0004 Å
• c: 10.8937 ± 0.0008 Å
• α: 90°
• β: 101.111 ± 0.003°
• γ: 90°
• Cell volume: 998.01 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes