Information card for entry 2008018

Structure parameters

• Chemical name: p-Methoxyacetophenone-2,4-dinitrophenylhydrazone
• Formula: C15 H14 N4 O5
• Calculated formula: C15 H14 N4 O5
• SMILES: N(/N=C(C)/c1ccc(OC)cc1)c1c(N(=O)=O)cc(N(=O)=O)cc1
• Title of publication: 4'-Methoxyacetophenone 2,4-Dinitrophenylhydrazone at 173K
• Authors of publication: Bolte, Michael; Dill, Michele
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: IUC9800065
• a: 29.432 ± 0.004 Å
• b: 7.292 ± 0.001 Å
• c: 15.958 ± 0.002 Å
• α: 90°
• β: 117.12 ± 0.01°
• γ: 90°
• Cell volume: 3048.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.119
• 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