Information card for entry 2221693

Structure parameters

• Chemical name: (<i>E</i>)-4-Bromo-<i>N</i>'-(2-chlorobenzylidene)benzohydrazide
• Formula: C14 H10 Br Cl N2 O
• Calculated formula: C14 H10 Br Cl N2 O
• SMILES: Brc1ccc(C(=O)N/N=C/c2c(Cl)cccc2)cc1
• Title of publication: (<i>E</i>)-4-Bromo-<i>N</i>'-(2-chlorobenzylidene)benzohydrazide
• Authors of publication: Shu, Xiao-Hong; Diao, Yun-Peng; Li, Mo-Lin; Yan, Xu; Liu, Jia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1034
• a: 11.218 ± 0.004 Å
• b: 13.512 ± 0.005 Å
• c: 9.2 ± 0.003 Å
• α: 90°
• β: 97.077 ± 0.006°
• γ: 90°
• Cell volume: 1383.9 ± 0.8 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: 0.0473
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes