Information card for entry 2215506

Structure parameters

• Chemical name: (E)-N'-[4-(4-Chlorobenzoyloxy)-3-methoxybenzylidene]isonicotinohydrazide
• Formula: C21 H16 Cl N3 O4
• Calculated formula: C21 H16 Cl N3 O4
• SMILES: Clc1ccc(cc1)C(=O)Oc1ccc(cc1OC)/C=N/NC(=O)c1ccncc1
• Title of publication: (<i>E</i>)-<i>N</i>'-[4-(4-Chlorobenzoyloxy)-3-methoxybenzylidene]isonicotinohydrazide
• Authors of publication: Han, Jian-Rong; Wang, Hui-Jun; Zhen, Xiao-Li; Tian, Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4013 - o4013
• a: 21.746 ± 0.006 Å
• b: 12.011 ± 0.003 Å
• c: 7.7 ± 0.002 Å
• α: 90°
• β: 99.472 ± 0.005°
• γ: 90°
• Cell volume: 1983.8 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0886
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes