Information card for entry 2009710

Structure parameters

• Formula: C13 H9 Cl O S
• Calculated formula: C13 H9 Cl O S
• SMILES: Clc1ccc(cc1)/C=C/C(=O)c1cscc1
• Title of publication: 3-(4-Chlorophenyl)-1-(3-thienyl)-2-propen-1-one
• Authors of publication: Youping, H.; Jianqiu, S.; Genbo, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 804 - 805
• a: 5.942 ± 0.001 Å
• b: 4.868 ± 0.002 Å
• c: 20.104 ± 0.005 Å
• α: 90°
• β: 95.94 ± 0.02°
• γ: 90°
• Cell volume: 578.4 ± 0.3 ų
• Cell temperature: 296 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for significantly intense reflections: 1.64
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No