Information card for entry 2242969

Structure parameters

• Chemical name: (2<i>E</i>)-3-(4-Chloro-3-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
• Formula: C17 H14 Cl F O3
• Calculated formula: C17 H14 Cl F O3
• Title of publication: Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-3-(4-chloro-3-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Çelikesir, Sevim Türktekin; Sheshadri, S. N.; Akkurt, Mehmet; Chidan Kumar, C. S.; Veeraiah, M. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 7
• Pages of publication: 942 - 945
• a: 14.9088 ± 0.0013 Å
• b: 5.7669 ± 0.0005 Å
• c: 17.9074 ± 0.0015 Å
• α: 90°
• β: 104.491 ± 0.002°
• γ: 90°
• Cell volume: 1490.7 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes