Information card for entry 2213616

Structure parameters

• Chemical name: (E)-4-Methylbenzaldehyde 2,4,6-trinitrophenylhydrazone
• Formula: C14 H11 N5 O6
• Calculated formula: C14 H11 N5 O6
• SMILES: N(/N=C/c1ccc(cc1)C)c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O
• Title of publication: (<i>E</i>)-4-Methylbenzaldehyde 2,4,6-trinitrophenylhydrazone
• Authors of publication: Gen-Rong Qiang; Zheng Fan; Shang Shan; Yu-Liang Tian; Xu-Chun Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2246 - o2248
• a: 7.1378 ± 0.0012 Å
• b: 7.4914 ± 0.0014 Å
• c: 14.995 ± 0.0019 Å
• α: 76.191 ± 0.009°
• β: 79.469 ± 0.007°
• γ: 83.606 ± 0.006°
• Cell volume: 763.6 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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 all reflections: 0.098
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.216
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes