Information card for entry 2235877

Structure parameters

• Chemical name: (<i>N</i>',<i>N</i>''<i>Z</i>,<i>N</i>',<i>N</i>''<i>E</i>)- <i>N</i>',<i>N</i>''-[1-(4-Chlorophenyl)ethane-1,2-diylidene]bis(3- methyl-1-benzofuran-2-carbohydrazide)
• Formula: C28 H21 Cl N4 O4
• Calculated formula: C28 H21 Cl N4 O4
• SMILES: Clc1ccc(C(=N\NC(=O)c2oc3ccccc3c2C)\C=N\NC(=O)c2oc3c(c2C)cccc3)cc1
• Title of publication: (<i>N</i>',<i>N</i>''<i>Z</i>,<i>N</i>',<i>N</i>''<i>E</i>)-<i>N</i>',<i>N</i>''-[1-(4-Chlorophenyl)ethane-1,2-diylidene]bis(3-methyl-1-benzofuran-2-carbohydrazide)
• Authors of publication: Fun, Hoong-Kun; Chia, Tze Shyang; Alafeefy, Ahmed M.; Abdel-Aziz, Hatem A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2405 - o2406
• a: 7.5539 ± 0.0009 Å
• b: 23.332 ± 0.003 Å
• c: 13.6027 ± 0.0016 Å
• α: 90°
• β: 94.275 ± 0.002°
• γ: 90°
• Cell volume: 2390.8 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0841
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes