Information card for entry 2220115

Structure parameters

• Chemical name: 2-[4-(2-Methylpropyl)phenyl]-<i>N</i>'-[(E)-1-phenylethylidene]propanehydrazide
• Formula: C21 H26 N2 O
• Calculated formula: C21 H26 N2 O
• SMILES: CC(Cc1ccc(cc1)C(C(=O)N/N=C(/c1ccccc1)C)C)C
• Title of publication: 2-[4-(2-Methylpropyl)phenyl]-<i>N</i>'-[(<i>E</i>)-1-phenylethylidene]propanehydrazide
• Authors of publication: Fun, Hoong-Kun; Jebas, Samuel Robinson; Sujith, K. V.; Kalluraya, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2377
• a: 5.4355 ± 0.0002 Å
• b: 10.285 ± 0.0004 Å
• c: 17.3095 ± 0.0006 Å
• α: 80.821 ± 0.004°
• β: 84.312 ± 0.003°
• γ: 74.719 ± 0.003°
• Cell volume: 919.85 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes