Information card for entry 1570362

Structure parameters

• Chemical name: (<i>E</i>)-3-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiazol-2-yl)prop-2-en-1-one
• Formula: C21 H15 N3 O S
• Calculated formula: C21 H15 N3 O S
• Title of publication: (E)-3-(1,3-Diphenyl-1H-pyrazol-4-yl)-1-(thiazol-2-yl)prop-2-en-1-one
• Authors of publication: Koh, Dongsoo
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 11
• a: 9.3312 ± 0.0019 Å
• b: 19.124 ± 0.004 Å
• c: 9.977 ± 0.002 Å
• α: 90°
• β: 95.453 ± 0.007°
• γ: 90°
• Cell volume: 1772.3 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0948
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No