Information card for entry 2222278

Structure parameters

• Chemical name: (<i>E</i>)-3-Bromo-<i>N</i>'-(2-chlorobenzylidene)benzohydrazide
• Formula: C14 H10 Br Cl N2 O
• Calculated formula: C14 H10 Br Cl N2 O
• SMILES: Brc1cc(C(=O)N/N=C/c2c(Cl)cccc2)ccc1
• Title of publication: (<i>E</i>)-3-Bromo-<i>N</i>'-(2-chlorobenzylidene)benzohydrazide
• Authors of publication: Qu, Lan-Zhu; Cao, Guo-Biao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1705
• a: 13.14 ± 0.001 Å
• b: 12.632 ± 0.001 Å
• c: 8.377 ± 0.001 Å
• α: 90°
• β: 98.174 ± 0.002°
• γ: 90°
• Cell volume: 1376.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes