Information card for entry 2211263

Structure parameters

• Chemical name: (E)-N'-[3-Methoxy-2-(2-nitrobenzyloxy)benzylidene]isonicotinohydrazide
• Formula: C21 H18 N4 O5
• Calculated formula: C21 H18 N4 O5
• SMILES: O=C(N/N=C/c1cccc(OC)c1OCc1ccccc1N(=O)=O)c1ccncc1
• Title of publication: (<i>E</i>)-<i>N</i>'-[3-Methoxy-2-(2-nitrobenzyloxy)benzylidene]isonicotinohydrazide
• Authors of publication: Han, Jian-Rong; Zhen, Xiao-Li; Tian, Xia; Liu, Shou-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5570 - o5571
• a: 7.8965 ± 0.0017 Å
• b: 26.12 ± 0.006 Å
• c: 20.139 ± 0.004 Å
• α: 90°
• β: 96.355 ± 0.004°
• γ: 90°
• Cell volume: 4128.3 ± 1.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.1805
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes