Information card for entry 2238035

Structure parameters

• Chemical name: (<i>Z</i>)-3-(2-Aminoanilino)-1-phenylbut-2-en-1-one
• Formula: C16 H16 N2 O
• Calculated formula: C16 H16 N2 O
• SMILES: CC(=C/C(=O)c1ccccc1)/Nc1ccccc1N
• Title of publication: (<i>Z</i>)-3-(2-Aminoanilino)-1-phenylbut-2-en-1-one
• Authors of publication: Karthikeyan, Subramani; Srinivasan, Thothadri; Sundaravadivel, Elumalai; Kandaswamy, Muthusamy; Velmurugan, Devadasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o780
• a: 15.489 ± 0.005 Å
• b: 16.422 ± 0.005 Å
• c: 11.684 ± 0.005 Å
• α: 90°
• β: 110.646 ± 0.005°
• γ: 90°
• Cell volume: 2781.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes