Information card for entry 2232308

Structure parameters

• Chemical name: 3-(4-Bromophenyl)-4-[2-(4-nitrophenyl)hydrazinyl]furan-2(5<i>H</i>)-one
• Formula: C16 H12 Br N3 O4
• Calculated formula: C16 H12 Br N3 O4
• SMILES: Brc1ccc(cc1)C1=C(COC1=O)NNc1ccc(cc1)N(=O)=O
• Title of publication: 3-(4-Bromophenyl)-4-[2-(4-nitrophenyl)hydrazinyl]furan-2(5<i>H</i>)-one
• Authors of publication: Xiao, Zhu-Ping; Yi, Li-Cheng; Li, Jia-Liang; Zhang, Bo; Liao, Mei-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3086
• a: 14.4725 ± 0.0011 Å
• b: 6.7744 ± 0.0005 Å
• c: 31.31 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3069.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes