Information card for entry 2208323

Structure parameters

• Common name: 3-Chloroacetophenone 2,4,6-trinitrophenylhydrazone
• Chemical name: [(1E)-1-aza-2-(3-chlorophenyl)prop-1-enyl](2,4,6-trinitrophenyl)amine
• Formula: C14 H10 Cl N5 O6
• Calculated formula: C14 H10 Cl N5 O6
• SMILES: c1(c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O)N/N=C(\C)c1cc(ccc1)Cl
• Title of publication: 3-Chloroacetophenone 2,4,6-trinitrophenylhydrazone
• Authors of publication: Shang Shan; Zheng Fan; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1123 - o1125
• a: 13.1335 ± 0.0005 Å
• b: 24.5909 ± 0.0008 Å
• c: 10.0806 ± 0.0003 Å
• α: 90°
• β: 104.328 ± 0.002°
• γ: 90°
• Cell volume: 3154.41 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.085
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes