Information card for entry 2211046

Structure parameters

• Chemical name: Acetaldehyde 4-nitrophenylhydrazone
• Formula: C8 H9 N3 O2
• Calculated formula: C8 H9 N3 O2
• SMILES: c1(ccc(cc1)N(=O)=O)NN=CC
• Title of publication: Acetaldehyde 4-nitrophenylhydrazone
• Authors of publication: Xu, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5305 - o5306
• a: 4.372 ± 0.002 Å
• b: 17.78 ± 0.003 Å
• c: 11.465 ± 0.003 Å
• α: 90°
• β: 97.05 ± 0.003°
• γ: 90°
• Cell volume: 884.5 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0899
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes