Information card for entry 2204350

Structure parameters

• Common name: azo-enaminone
• Chemical name: 4-(E)-amino-3-[(E)-2-chlorophenylazo]-3-penten-2-one
• Formula: C11 H12 Cl N3 O
• Calculated formula: C11 H12 Cl N3 O
• SMILES: Clc1c(/N=N/C(=C(\N)C)C(=O)C)cccc1
• Title of publication: The azo‒enaminone 4-(<i>E</i>)-amino-3-[(<i>E</i>)-2-chlorophenyldiazenyl]pent-3-en-2-one
• Authors of publication: Vencato, Ivo; Cunha, Silvio; Rocha, Valeria; Rocha, Zenis Novais da; Lariucci, Carlito
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1704 - o1706
• a: 7.673 ± 0.006 Å
• b: 12.887 ± 0.001 Å
• c: 11.598 ± 0.001 Å
• α: 90°
• β: 91.28 ± 0.02°
• γ: 90°
• Cell volume: 1146.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0692
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes