Information card for entry 8105695

Structure parameters

• Formula: C12 H9 Cl F N3
• Calculated formula: C12 H9 Cl F N3
• SMILES: Clc1c(N/N=C/c2ccc(F)cc2)nccc1
• Title of publication: The crystal structure of (E)-3-chloro-2-(2-(4-fluorobenzylidene)hydrazinyl)pyridine, C12H9ClFN3
• Authors of publication: Zheng, Bin-Yu; Sun, Na-Bo; Chen, Xue-Song; Liu, Xing-Hai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 355 - 356
• a: 10.12 ± 0.004 Å
• b: 13.823 ± 0.006 Å
• c: 16.48 ± 0.007 Å
• α: 90°
• β: 91.744 ± 0.008°
• γ: 90°
• Cell volume: 2304.3 ± 1.7 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 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: 0.0512
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No