Information card for entry 2241641

Structure parameters

• Chemical name: (<i>E</i>)-1-(Anthracen-9-yl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one
• Formula: C23 H14 Cl F O
• Calculated formula: C23 H14 Cl F O
• SMILES: Fc1cccc(Cl)c1/C=C/C(=O)c1c2ccccc2cc2ccccc12
• Title of publication: (<i>E</i>)-1-(Anthracen-9-yl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis
• Authors of publication: Abdullah, Amzar Ahlami; Hassan, Nur Hafiq Hanif; Arshad, Suhana; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 648 - 651
• a: 9.2846 ± 0.0009 Å
• b: 9.8777 ± 0.001 Å
• c: 10.3624 ± 0.0011 Å
• α: 94.364 ± 0.002°
• β: 113.352 ± 0.0019°
• γ: 92.866 ± 0.002°
• Cell volume: 866.63 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes