Information card for entry 2207626

Structure parameters

• Formula: C16 H14 N4 O4
• Calculated formula: C16 H14 N4 O4
• SMILES: c1(ccccc1/C=N/CC/N=C/c1c(cccc1)N(=O)=O)N(=O)=O
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-nitrobenzylidene)ethylenediamine
• Authors of publication: Li, Yu-Guang; Zhu, Hai-Liang; Chen, Xin-Zhi; Song, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4156 - o4157
• a: 7.4255 ± 0.001 Å
• b: 15.497 ± 0.002 Å
• c: 7.0806 ± 0.001 Å
• α: 90°
• β: 108.648 ± 0.002°
• γ: 90°
• Cell volume: 772.01 ± 0.18 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0671
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes