Information card for entry 2205451

Structure parameters

• Chemical name: 2-({4-[3-Methyl-3-(2,4,6-trimethylphenyl)cyclobutyl]-3H-thiazol-2- ylidene}hydrazonomethyl)benzene-1,4-diol ethanol solvate
• Formula: C26 H33 N3 O3 S
• Calculated formula: C26 H33 N3 O3 S
• SMILES: S1C=C(NC1=NN=Cc1c(O)ccc(O)c1)C1CC(C1)(c1c(cc(cc1C)C)C)C.OCC
• Title of publication: 2-({4-[3-Methyl-3-(2,4,6-trimethylphenyl)cyclobutyl]-3<i>H</i>-thiazol-2-ylidene}hydrazonomethyl)benzene-1,4-diol ethanol solvate
• Authors of publication: Çiğdem Yüksektepe; Mustafa Serkan Soylu; Hanife Saraçoğlu; Ibrahim Yılmaz; Alaaddin Çukurovali; Nezihe Çalıs̨kan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1158 - o1160
• a: 7.5304 ± 0.0009 Å
• b: 12.5739 ± 0.0016 Å
• c: 14.5935 ± 0.0018 Å
• α: 65.678 ± 0.009°
• β: 84.257 ± 0.01°
• γ: 89.335 ± 0.01°
• Cell volume: 1252.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.079
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No