Information card for entry 2204629

Structure parameters

• Common name: 4-fluorobenzaldehyde picoloylhydrazone
• Chemical name: 4-fluorobenzaldehyde (pyridine-2-carbonyl)hydrazone
• Formula: C13 H10 F N3 O
• Calculated formula: C13 H10 F N3 O
• SMILES: Fc1ccc(cc1)/C=N/NC(=O)c1ncccc1
• Title of publication: 4-Fluorobenzaldehyde picoloylhydrazone
• Authors of publication: Shao, Si-Chang; You, Zhong-Lu; Shao-Hua Fan; Tang, Lu-Lu; Lin, Yong-Shan; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2181 - o2182
• a: 5.812 ± 0.003 Å
• b: 14.276 ± 0.008 Å
• c: 13.878 ± 0.007 Å
• α: 90°
• β: 98.344 ± 0.008°
• γ: 90°
• Cell volume: 1139.3 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.085
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes