Information card for entry 2210918

Structure parameters

• Common name: chalcone
• Chemical name: (2E)-3-(2,4-dichlorophenyl)-1-phenylprop-2-en-1-one
• Formula: C15 H10 Cl2 O
• Calculated formula: C15 H10 Cl2 O
• SMILES: Clc1cc(Cl)c(cc1)/C=C/C(=O)c1ccccc1
• Title of publication: 2',4'-Dichlorochalcone
• Authors of publication: Phukan, Manisha; Phukan, Prodeep; Chakrabarty, Rajesh; Sarma, Barindra Kumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5056 - o5057
• a: 3.9712 ± 0.0001 Å
• b: 11.7738 ± 0.0004 Å
• c: 27.7962 ± 0.001 Å
• α: 90.748 ± 0.002°
• β: 91.268 ± 0.002°
• γ: 96.492 ± 0.002°
• Cell volume: 1290.83 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1892
• 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