Information card for entry 2207348

Structure parameters

• Chemical name: (E)-N'-(4-Benzyloxy-3-methoxybenzylidene)isonicotinohydrazide
• Formula: C21 H19 N3 O3
• Calculated formula: C21 H19 N3 O3
• SMILES: O(Cc1ccccc1)c1ccc(cc1OC)/C=N/NC(=O)c1ccncc1
• Title of publication: (<i>E</i>)-<i>N</i>'-(4-Benzyloxy-3-methoxybenzylidene)isonicotinohydrazide
• Authors of publication: Shi, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3933 - o3934
• a: 11.0418 ± 0.0017 Å
• b: 8.0714 ± 0.0012 Å
• c: 41.313 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3681.9 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes