Information card for entry 2225006

Structure parameters

• Chemical name: (<i>E</i>)-1-(3-Nitrophenyl)-2-({5-[(1<i>E</i>)-2-(3-nitrophenyl)hydrazin-1- ylidenemethyl]-2-thienyl}methylidene)hydrazine
• Formula: C18 H14 N6 O4 S
• Calculated formula: C18 H14 N6 O4 S
• SMILES: s1c(ccc1/C=N/Nc1cc(N(=O)=O)ccc1)/C=N/Nc1cc(N(=O)=O)ccc1
• Title of publication: (<i>E</i>)-1-(3-Nitrophenyl)-2-({5-[(1<i>E</i>)-2-(3-nitrophenyl)hydrazin-1-ylidenemethyl]-2-thienyl}methylidene)hydrazine
• Authors of publication: de Lima, Geraldo M.; Harrison, William T. A.; 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: 2
• Pages of publication: o457 - o458
• a: 11.179 ± 0.0005 Å
• b: 20.6993 ± 0.0009 Å
• c: 8.0334 ± 0.0002 Å
• α: 90°
• β: 100.513 ± 0.002°
• γ: 90°
• Cell volume: 1827.7 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.076
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes