Information card for entry 2220608

Structure parameters

• Chemical name: <i>N</i>'-[(E)-1-(4-Chlorophenyl)ethylidene]-2-[4-(2- methylpropyl)phenyl]propanohydrazide
• Formula: C21 H25 Cl N2 O
• Calculated formula: C21 H25 Cl N2 O
• SMILES: Clc1ccc(cc1)/C(=N/NC(=O)C(c1ccc(cc1)CC(C)C)C)C
• Title of publication: <i>N</i>'-[(<i>E</i>)-1-(4-Chlorophenyl)ethylidene]-2-[4-(2-methylpropyl)phenyl]propanohydrazide
• Authors of publication: Fun, Hoong-Kun; Jebas, Samuel Robinson; Sujith, K. V; Kalluraya, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o17 - o18
• a: 14.2691 ± 0.0002 Å
• b: 15.5343 ± 0.0002 Å
• c: 20.7436 ± 0.0003 Å
• α: 77.416 ± 0.001°
• β: 90.058 ± 0.001°
• γ: 62.714 ± 0.001°
• Cell volume: 3961.17 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes