Information card for entry 2220367

Structure parameters

• Chemical name: 2,2-Dimethyl-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)propane-1,3-diamine
• Formula: C19 H20 N4 O4
• Calculated formula: C19 H20 N4 O4
• SMILES: O=N(=O)c1ccc(cc1)/C=N/CC(C/N=C/c1ccc(N(=O)=O)cc1)(C)C
• Title of publication: 2,2-Dimethyl-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)propane-1,3-diamine
• Authors of publication: Fun, Hoong-Kun; Kargar, Hadi; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2335
• a: 7.8219 ± 0.0001 Å
• b: 19.9716 ± 0.0004 Å
• c: 12.0125 ± 0.0003 Å
• α: 90°
• β: 92.831 ± 0.001°
• γ: 90°
• Cell volume: 1874.25 ± 0.06 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.101
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes