Information card for entry 2020303

Structure parameters

• Chemical name: (2'<i>E</i>,2'<i>E</i>)-2,2'-(Propane-1,2-diylidene)bis[1-(2-nitrophenyl)hydrazine]
• Formula: C15 H14 N6 O4
• Calculated formula: C15 H14 N6 O4
• SMILES: O=N(=O)c1c(N\N=C\C(=N\Nc2c(N(=O)=O)cccc2)C)cccc1
• Title of publication: Structural aspects of two α-dihydrazones displaying a complete survey of intermolecular interactions
• Authors of publication: Bustos, Carlos; Alvarez-Thon, Luis; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• a: 7.9382 ± 0.0016 Å
• b: 7.3484 ± 0.0015 Å
• c: 25.847 ± 0.005 Å
• α: 90°
• β: 90.05 ± 0.03°
• γ: 90°
• Cell volume: 1507.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes