Information card for entry 2226037

Structure parameters

• Common name: 2,3-butanedione bis[<i>N</i>-(4-bromobenzal)hydrazone]
• Chemical name: Butane-2,3-dione bis[(4-bromobenzylidene)hydrazone]
• Formula: C18 H16 Br2 N4
• Calculated formula: C18 H16 Br2 N4
• SMILES: CC(=N\N=C\c1ccc(cc1)Br)/C(=N/N=C/c1ccc(cc1)Br)C
• Title of publication: Butane-2,3-dione bis[(4-bromobenzylidene)hydrazone]
• Authors of publication: Yang, Sai-Ming; Xu, Yue-Tong; Zhang, Bang-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1174
• a: 6.9139 ± 0.0016 Å
• b: 4.0931 ± 0.001 Å
• c: 31.48 ± 0.007 Å
• α: 90°
• β: 95.186 ± 0.003°
• γ: 90°
• Cell volume: 887.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes