Information card for entry 2234548

Structure parameters

• Chemical name: <i>N</i>'-(2,6-Difluorobenzylidene)pyridine-4-carbohydrazide
• Formula: C13 H9 F2 N3 O
• Calculated formula: C13 H9 F2 N3 O
• SMILES: Fc1c(C=NNC(=O)c2ccncc2)c(F)ccc1
• Title of publication: <i>N</i>'-(2,6-Difluorobenzylidene)pyridine-4-carbohydrazide
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1484
• a: 6.8462 ± 0.0001 Å
• b: 24.7903 ± 0.0005 Å
• c: 8.3719 ± 0.0001 Å
• α: 90°
• β: 125.249 ± 0.001°
• γ: 90°
• Cell volume: 1160.36 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes