Information card for entry 8104936

Structure parameters

• Formula: C14 H14 Br N3 O3
• Calculated formula: C14 H14 Br N3 O3
• Title of publication: The crystal structure of (E)-2-(5-bromo-2-hydroxybenzylidene)-N-phenylhydrazine-1- carboxamide monohydrate, C14H14BrN3O3
• Authors of publication: Li-Hua, Wang; Xiao-Jing, Zhou; Li-Li, Liu; Ai-Ling, Zhang; Xi-Shi, Tai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 251 - 252
• a: 32.932 ± 0.003 Å
• b: 5.849 ± 0.0007 Å
• c: 7.3606 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1417.8 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0282
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No