Information card for entry 2228553

Structure parameters

• Chemical name: 3-Diethylamino-6-[(<i>Z</i>)-(4-hydroxyanilino)methylidene]cyclohexa-2,4- dienone
• Formula: C17 H20 N2 O2
• Calculated formula: C17 H20 N2 O2
• SMILES: CCN(C1=CC(=O)/C(=C\Nc2ccc(cc2)O)C=C1)CC
• Title of publication: 3-Diethylamino-6-[(<i>Z</i>)-(4-hydroxyanilino)methylidene]cyclohexa-2,4-dienone
• Authors of publication: Soydemir, Erkan; Büyükgüngör, Orhan; Albayrak, Çiğdem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3138 - o3139
• a: 8.2648 ± 0.0004 Å
• b: 11.8968 ± 0.0004 Å
• c: 16.6149 ± 0.0007 Å
• α: 90°
• β: 112.4 ± 0.003°
• γ: 90°
• Cell volume: 1510.39 ± 0.11 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• 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: 0.0823
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes