Information card for entry 2241727

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(2-Hydroxy-5-methylbenzylidene)isonicotinohydrazide
• Formula: C14 H13 N3 O2
• Calculated formula: C14 H13 N3 O2
• SMILES: O=C(N/N=C/c1c(O)ccc(c1)C)c1ccncc1
• Title of publication: Crystal structures of (<i>E</i>)-<i>N</i>'-(2-hydroxy-5-methylbenzylidene)isonicotinohydrazide and (<i>E</i>)-<i>N</i>'-(5-fluoro-2-hydroxybenzylidene)isonicotinohydrazide
• Authors of publication: Chainok, Kittipong; Makmuang, Sureerat; Kielar, Filip
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 980 - 983
• a: 8.5318 ± 0.0004 Å
• b: 15.9973 ± 0.0008 Å
• c: 9.4637 ± 0.0005 Å
• α: 90°
• β: 102.738 ± 0.002°
• γ: 90°
• Cell volume: 1259.87 ± 0.11 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• 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: 0.0774
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes