Information card for entry 2009074

Structure parameters

• Formula: C11 H12 Cl N O2
• Calculated formula: C11 H12 Cl N O2
• SMILES: CC(=C/C(=O)C)/Nc1cc(Cl)ccc1O
• Title of publication: 4-Chloro-2-(4-oxopent-2-en-2-ylamino)phenol
• Authors of publication: Arici, Cengiz; Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1691 - 1692
• a: 10.1911 ± 0.0011 Å
• b: 11.3039 ± 0.0013 Å
• c: 11.0983 ± 0.0011 Å
• α: 90°
• β: 115.83 ± 0.002°
• γ: 90°
• Cell volume: 1150.8 ± 0.2 ų
• Cell temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No