Information card for entry 2209325

Structure parameters

• Chemical name: 1-(2,4-Dichlorophenyl)-3-(2-furyl)prop-2-en-1-one
• Formula: C13 H8 Cl2 O2
• Calculated formula: C13 H8 Cl2 O2
• SMILES: Clc1c(C(=O)/C=C/c2occc2)ccc(Cl)c1
• Title of publication: 1-(2,4-Dichlorophenyl)-3-(2-furyl)prop-2-en-1-one
• Authors of publication: Mohd Mustaqim Rosli; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2520 - o2522
• a: 15.5442 ± 0.0002 Å
• b: 3.8939 ± 0.0001 Å
• c: 21.6258 ± 0.0003 Å
• α: 90°
• β: 120.33 ± 0.001°
• γ: 90°
• Cell volume: 1129.8 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes