Information card for entry 2212819

Structure parameters

• Chemical name: (2E)-3-(2,4-Dichlorophenyl)-1-(3-nitrophenyl)prop-2-en-1-one
• Formula: C15 H9 Cl2 N O3
• Calculated formula: C15 H9 Cl2 N O3
• SMILES: Clc1ccc(c(Cl)c1)/C=C/C(=O)c1cc(N(=O)=O)ccc1
• Title of publication: (2<i>E</i>)-3-(2,4-Dichlorophenyl)-1-(3-nitrophenyl)prop-2-en-1-one
• Authors of publication: Shea-Lin Ng; P. S. Patil; Ibrahim Abdul Razak; Hoong-Kun Fun; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1736 - o1737
• a: 7.24 ± 0.0002 Å
• b: 8.6841 ± 0.0002 Å
• c: 11.7224 ± 0.0003 Å
• α: 89.188 ± 0.001°
• β: 80.329 ± 0.002°
• γ: 66.192 ± 0.001°
• Cell volume: 663.54 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0481
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes