Information card for entry 2206206

Structure parameters

• Chemical name: (Z)-4-[(E)-(4-ethylphenyl)diazenyl]-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan- 2-ylamino]methylene}cyclohexa-2,4-dienone
• Formula: C19 H23 N3 O4
• Calculated formula: C19 H23 N3 O4
• SMILES: OCC(N/C=C1/C=C(C=CC1=O)/N=N/c1ccc(cc1)CC)(CO)CO
• Title of publication: (<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-4-[(<i>E</i>)-(4-ethylphenyl)diazenyl]cyclohexa-2,4-dienone
• Authors of publication: Şahin, Onur; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2076 - o2078
• a: 18.441 ± 0.004 Å
• b: 7.8992 ± 0.001 Å
• c: 13.014 ± 0.003 Å
• α: 90°
• β: 95.516 ± 0.016°
• γ: 90°
• Cell volume: 1887 ± 0.6 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: 0.2105
• Residual factor for significantly intense reflections: 0.1073
• Weighted residual factors for significantly intense reflections: 0.2683
• Weighted residual factors for all reflections included in the refinement: 0.3125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes