Information card for entry 2226225

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(2,4,6-Trimethylbenzylidene)isonicotinohydrazide
• Formula: C16 H17 N3 O
• Calculated formula: C16 H17 N3 O
• SMILES: O=C(N/N=C/c1c(cc(cc1C)C)C)c1ccncc1
• Title of publication: (<i>E</i>)-<i>N</i>'-(2,4,6-Trimethylbenzylidene)isonicotinohydrazide
• Authors of publication: Naveenkumar, H. S.; Sadikun, Amirin; Ibrahim, Pazilah; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1493
• a: 4.7966 ± 0.0007 Å
• b: 34.268 ± 0.007 Å
• c: 8.3795 ± 0.0014 Å
• α: 90°
• β: 96.203 ± 0.014°
• γ: 90°
• Cell volume: 1369.3 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.1176
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes