Information card for entry 2211526

Structure parameters

• Chemical name: (2E)-3-(4-Butoxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one
• Formula: C19 H19 Cl O2
• Calculated formula: C19 H19 Cl O2
• SMILES: Clc1ccc(C(=O)/C=C/c2ccc(OCCCC)cc2)cc1
• Title of publication: (2<i>E</i>)-3-(4-Butoxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one
• Authors of publication: Yathirajan, H. S.; Sreevidya, T. V; Narayana, B.; Sarojini, B. K.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5923 - o5924
• a: 5.958 ± 0.0006 Å
• b: 11.6745 ± 0.0012 Å
• c: 12.6433 ± 0.0012 Å
• α: 106.346 ± 0.009°
• β: 94.975 ± 0.007°
• γ: 103.112 ± 0.008°
• Cell volume: 811.14 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0573
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes