Information card for entry 2226294

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(2-Benzyloxybenzylidene)isonicotinohydrazide methanol solvate monohydrate
• Formula: C21 H23 N3 O4
• Calculated formula: C21 H23 N3 O4
• SMILES: O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccncc1.OC.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(2-Benzyloxybenzylidene)isonicotinohydrazide methanol solvate monohydrate
• Authors of publication: Naveenkumar, H. S.; Sadikun, Amirin; Ibrahim, Pazilah; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1337 - o1338
• a: 17.763 ± 0.003 Å
• b: 12.3888 ± 0.0018 Å
• c: 8.745 ± 0.0013 Å
• α: 90°
• β: 98.672 ± 0.003°
• γ: 90°
• Cell volume: 1902.4 ± 0.5 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: 0.1071
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes