Information card for entry 2209517

Structure parameters

• Chemical name: Acetophenone 2,4,6-trinitrophenylhydrazone
• Formula: C14 H11 N5 O6
• Calculated formula: C14 H11 N5 O6
• SMILES: N(=O)(=O)c1cc(N(=O)=O)c(c(N(=O)=O)c1)N\N=C(c1ccccc1)/C
• Title of publication: Acetophenone 2,4,6-trinitrophenylhydrazone
• Authors of publication: Shang Shan; Zheng Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2800 - o2802
• a: 10.318 ± 0.004 Å
• b: 13.85 ± 0.005 Å
• c: 10.385 ± 0.004 Å
• α: 90°
• β: 93.952 ± 0.012°
• γ: 90°
• Cell volume: 1480.5 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes