Information card for entry 8104817

Structure parameters

• Formula: C14 H10 Br Cl N2 O2
• Calculated formula: C14 H10 Br Cl N2 O2
• Title of publication: Crystal structure of (E)-4-bromo-N′-(3-chloro-2-hydroxybenzylidene)benzohydrazide, C14H10BrClN2O2
• Authors of publication: Xu, Xindi; Ma, Xun; Huang, Meifen; Li, Tianyu; Wu, Qiong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 317 - 318
• a: 32.4137 ± 0.0012 Å
• b: 4.6683 ± 0.0002 Å
• c: 8.8873 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1344.8 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No