Information card for entry 2236381

Structure parameters

• Chemical name: (<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(3-nitrophenyl)ethylidene]hydrazine
• Formula: C14 H11 N5 O6
• Calculated formula: C14 H11 N5 O6
• SMILES: O=N(=O)c1c(N/N=C(c2cc(N(=O)=O)ccc2)\C)ccc(N(=O)=O)c1
• Title of publication: (<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(3-nitrophenyl)ethylidene]hydrazine
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Nilwanna, Boonlerd; Kobkeatthawin, Thawanrat; Boonnak, Nawong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2684 - o2685
• a: 7.3309 ± 0.0002 Å
• b: 38.3569 ± 0.0008 Å
• c: 16.8027 ± 0.0004 Å
• α: 90°
• β: 115.158 ± 0.001°
• γ: 90°
• Cell volume: 4276.57 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.1289
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes