Information card for entry 2209617

Structure parameters

• Chemical name: 2-{[4-(3-Methyl-3-mesitylcyclobutyl)thiazol]hydrazono}-1,2-diphenylethanol ethanol solvate
• Formula: C33 H39 N3 O2 S
• Calculated formula: C33 H39 N3 O2 S
• SMILES: s1cc(nc1N\N=C(/C(O)c1ccccc1)c1ccccc1)C1CC(c2c(C)cc(cc2C)C)(C)C1.OCC
• Title of publication: 2-{[4-(3-Mesityl-3-methylcyclobutyl)thiazol-2-yl]hydrazono}-1,2-diphenylethanol ethanol solvate
• Authors of publication: Çiğdem Yüksektepe; Nezihe Çalışkan; Ibrahim Yılmaz; Alaaddin Çukurovali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2762 - o2764
• a: 9.0997 ± 0.0011 Å
• b: 9.9104 ± 0.0014 Å
• c: 17.54 ± 0.002 Å
• α: 92.876 ± 0.01°
• β: 100.365 ± 0.01°
• γ: 105.41 ± 0.01°
• Cell volume: 1492 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1138
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes