Information card for entry 1564791

Structure parameters

• Chemical name: (3<i>E</i>)-4-[(Naphthalen-1-yl)amino]pent-3-en-2-one hemihydrate
• Formula: C15 H16 N O1.5
• Calculated formula: C15 H16 N O1.5
• Title of publication: (3<i>E</i>)-4-[(Naphthalen-1-yl)amino]pent-3-en-2-one hemihydrate
• Authors of publication: Diop, Aboubacar; Diop, Tidiane; Diop, Cheikh Abdou Khadre; Tumanov, Nikolay; Ennio, Zangrando; Sidibé, Mamadou
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 9
• Pages of publication: x210989
• a: 17.1405 ± 0.0008 Å
• b: 8.3052 ± 0.0004 Å
• c: 18.5156 ± 0.0008 Å
• α: 90°
• β: 102.347 ± 0.004°
• γ: 90°
• Cell volume: 2574.8 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes