Information card for entry 2224671

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Nitrophenyl)-2-(4-{[(<i>E</i>)-2-(4- nitrophenyl)hydrazinylidene]methyl}benzylidene)hydrazine dihydrate
• Formula: C20 H20 N6 O6
• Calculated formula: C20 H20 N6 O6
• SMILES: O=N(=O)c1ccc(N/N=C/c2ccc(cc2)/C=N/Nc2ccc(N(=O)=O)cc2)cc1.O.O
• Title of publication: (<i>E</i>)-1-(4-Nitrophenyl)-2-(4-{[(<i>E</i>)-2-(4-nitrophenyl)hydrazinylidene]methyl}benzylidene)hydrazine dihydrate
• Authors of publication: Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o191 - o192
• a: 7.7549 ± 0.0004 Å
• b: 9.3245 ± 0.0007 Å
• c: 15.3374 ± 0.0011 Å
• α: 100.749 ± 0.003°
• β: 90.533 ± 0.004°
• γ: 103.131 ± 0.005°
• Cell volume: 1059.56 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes