Information card for entry 8106927

Structure parameters

• Chemical name: '1-(5-benzoyl-4-methyl-2-(phenylamino)thiophen-3-yl)ethan-1-one'
• Formula: C20 H17 N O2 S
• Calculated formula: C20 H17 N O2 S
• Title of publication: Crystal structure of 1-(5-benzoyl-4-methyl-2-(phenylamino)thiophen-3-yl)ethan-1-one, a structure with Z′ = 6, C20H17NO2S
• Authors of publication: Mabkhot, Yahia N.; Barakat, Assem; Al-Showiman, Salim S.; Frey, Wolfgang; Hamdi, Ahmad Hadi; Ghabbour, Hazem A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 517 - 520
• a: 8.2737 ± 0.0005 Å
• b: 16.6403 ± 0.0009 Å
• c: 17.733 ± 0.001 Å
• α: 86.372 ± 0.003°
• β: 86.317 ± 0.004°
• γ: 78.607 ± 0.003°
• Cell volume: 2385.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0786
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No