Information card for entry 2201167

Structure parameters

• Chemical name: 2-(2,4-dichlorophenylmethylene)-1-tetralone
• Formula: C17 H12 Cl2 O
• Calculated formula: C17 H12 Cl2 O
• SMILES: Clc1c(/C=C2/C(=O)c3c(CC2)cccc3)ccc(Cl)c1
• Title of publication: 2-(2,4-Dichlorophenylmethylene)-1-tetralone
• Authors of publication: Oloo, Eliud O.; Quail, J. Wilson; Perjési, Pál; Dimmock, Jonathan R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o580 - o581
• a: 12.3695 ± 0.0009 Å
• b: 13.7644 ± 0.001 Å
• c: 8.2403 ± 0.0006 Å
• α: 90°
• β: 90.01 ± 0.01°
• γ: 90°
• Cell volume: 1402.98 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes