Information card for entry 2204655

Structure parameters

• Chemical name: Benzylideneacetone 2,4-dinitrophenylhydrazone
• Formula: C16 H14 N4 O4
• Calculated formula: C16 H14 N4 O4
• SMILES: O=N(=O)c1cc(N(=O)=O)c(N\N=C(C)\C=C\c2ccccc2)cc1
• Title of publication: Benzylideneacetone 2,4-dinitrophenylhydrazone
• Authors of publication: Shang Shan; Zheng Fan; Wei-Xiao Hu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2473 - o2475
• a: 7.3916 ± 0.0003 Å
• b: 15.7043 ± 0.0007 Å
• c: 13.735 ± 0.0005 Å
• α: 90°
• β: 102.436 ± 0.0013°
• γ: 90°
• Cell volume: 1556.95 ± 0.11 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: 0.064
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes