Information card for entry 2201622

Structure parameters

• Formula: C15 H14 N4 O4
• Calculated formula: C15 H14 N4 O4
• SMILES: O=N(=O)c1cc(N(=O)=O)c(N/N=C(/c2ccccc2)CC)cc1
• Title of publication: Propiophenone 2,4-dinitrophenylhydrazone
• Authors of publication: Shang Shan; Duan-Jun Xu; Jing-Yun Wu; Michael Y. Chiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1444 - o1445
• a: 13.976 ± 0.002 Å
• b: 15.38 ± 0.004 Å
• c: 7.0465 ± 0.0018 Å
• α: 90°
• β: 101.38 ± 0.02°
• γ: 90°
• Cell volume: 1484.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.173
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes