Information card for entry 2225375

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(2,4,5-Trifluorobenzylidene)isonicotinohydrazide monohydrate
• Formula: C13 H10 F3 N3 O2
• Calculated formula: C13 H10 F3 N3 O2
• SMILES: Fc1cc(F)c(F)cc1/C=N/NC(=O)c1ccncc1.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(2,4,5-Trifluorobenzylidene)isonicotinohydrazide monohydrate
• Authors of publication: Naveenkumar, H. S.; Sadikun, Amirin; Ibrahim, Pazilah; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o579
• a: 4.9241 ± 0.0001 Å
• b: 6.3915 ± 0.0001 Å
• c: 21.3387 ± 0.0002 Å
• α: 88.616 ± 0.001°
• β: 86.556 ± 0.001°
• γ: 76.056 ± 0.001°
• Cell volume: 650.58 ± 0.018 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes