Information card for entry 2211029

Structure parameters

• Chemical name: (E)-N'-[3-Methoxy-4-(4-nitrobenzyloxy)benzylidene]isonicotinohydrazide
• Formula: C21 H18 N4 O5
• Calculated formula: C21 H18 N4 O5
• SMILES: O=N(=O)c1ccc(cc1)COc1ccc(cc1OC)/C=N/NC(=O)c1ccncc1
• Title of publication: (<i>E</i>)-<i>N</i>'-[3-Methoxy-4-(4-nitrobenzyloxy)benzylidene]isonicotinohydrazide
• Authors of publication: Diao, Chun-Hua; Yu, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5209 - o5210
• a: 23.601 ± 0.005 Å
• b: 10.798 ± 0.002 Å
• c: 14.698 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3745.7 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes