Information card for entry 2212295

Structure parameters

• Chemical name: Acetone 2-nitrophenylhydrazone
• Formula: C9 H11 N3 O2
• Calculated formula: C9 H11 N3 O2
• SMILES: c1(NN=C(C)C)c(N(=O)=O)cccc1
• Title of publication: Acetone 2-nitrophenylhydrazone
• Authors of publication: Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o970 - o971
• a: 3.8451 ± 0.0002 Å
• b: 11.4926 ± 0.0008 Å
• c: 21.3214 ± 0.0013 Å
• α: 90°
• β: 92.208 ± 0.004°
• γ: 90°
• Cell volume: 941.5 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0678
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes