Information card for entry 2214788

Structure parameters

• Chemical name: (2E)-1-(2,4-Dichlorophenyl)-3-quinolin-8-ylprop-2-en-1-one
• Formula: C18 H11 Cl2 N O
• Calculated formula: C18 H11 Cl2 N O
• SMILES: n1c2c(/C=C/C(=O)c3c(Cl)cc(Cl)cc3)cccc2ccc1
• Title of publication: (2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(quinolin-8-yl)prop-2-en-1-one
• Authors of publication: Sarojini, B. K.; Yathirajan, H. S.; Mayekar, A. N.; Narayana, B.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3488 - o3488
• a: 11.9121 ± 0.0016 Å
• b: 10.7112 ± 0.001 Å
• c: 12.7824 ± 0.0015 Å
• α: 90°
• β: 113.181 ± 0.009°
• γ: 90°
• Cell volume: 1499.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.067
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes