Information card for entry 2222993

Structure parameters

• Chemical name: (<i>Z</i>)-6-[(5-Chloro-2-hydroxyphenyl)aminomethylene]-2-ethoxycyclohexa-2,4- dienone
• Formula: C15 H14 Cl N O3
• Calculated formula: C15 H14 Cl N O3
• SMILES: C1(\C(=O)C(=CC=C1)OCC)=C\Nc1c(ccc(c1)Cl)O
• Title of publication: (<i>Z</i>)-6-[(5-Chloro-2-hydroxyphenyl)aminomethylene]-2-ethoxycyclohexa-2,4-dienone
• Authors of publication: Özek, Arzu; Albayrak, Çiğdem; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2153
• a: 15.4313 ± 0.0007 Å
• b: 7.171 ± 0.0002 Å
• c: 12.6071 ± 0.0006 Å
• α: 90°
• β: 111.168 ± 0.004°
• γ: 90°
• Cell volume: 1300.94 ± 0.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes