Information card for entry 2242785

Structure parameters

• Chemical name: (<i>E</i>)-3-(4-Fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
• Formula: C15 H10 F N O3
• Calculated formula: C15 H10 F N O3
• SMILES: Fc1ccc(/C=C/C(=O)c2ccc(N(=O)=O)cc2)cc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (<i>E</i>)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
• Authors of publication: Wong, Qin Ai; Chia, Tze Shyang; Kwong, Huey Chong; Chidan Kumar, C. S.; Quah, Ching Kheng; Arafath, Md. Azharul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 1
• Pages of publication: 53 - 57
• a: 3.886 ± 0.0005 Å
• b: 13.2324 ± 0.0016 Å
• c: 24.199 ± 0.003 Å
• α: 90°
• β: 91.963 ± 0.002°
• γ: 90°
• Cell volume: 1243.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes