Information card for entry 2223082

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(3,5-Dibromo-2-hydroxybenzylidene)-2-nitrobenzohydrazide methanol solvate
• Formula: C15 H13 Br2 N3 O5
• Calculated formula: C15 H13 Br2 N3 O5
• SMILES: Brc1c(O)c(cc(Br)c1)/C=N/NC(=O)c1c(N(=O)=O)cccc1.OC
• Title of publication: (<i>E</i>)-<i>N</i>'-(3,5-Dibromo-2-hydroxybenzylidene)-2-nitrobenzohydrazide methanol solvate
• Authors of publication: Qian, Heng-Yu; Qu, Da-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2237
• a: 18.981 ± 0.001 Å
• b: 10.054 ± 0.002 Å
• c: 19.746 ± 0.002 Å
• α: 90°
• β: 110.974 ± 0.002°
• γ: 90°
• Cell volume: 3518.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes