Information card for entry 2235634

Structure parameters

• Chemical name: (<i>Z</i>)-4-(2-Hydroxyanilino)pent-3-en-2-one
• Formula: C11 H13 N O2
• Calculated formula: C11 H13 N O2
• SMILES: Oc1ccccc1N/C(C)=C\C(=O)C
• Title of publication: (<i>Z</i>)-4-(2-Hydroxyanilino)pent-3-en-2-one
• Authors of publication: Fatiha, Benghanem; Saida, Keraghel; Safia, Chahmana; Ali, Ourari; Lydia, Brelot
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2188 - o2189
• a: 8.7826 ± 0.0004 Å
• b: 10.3999 ± 0.0005 Å
• c: 11.1827 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1021.41 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes