Information card for entry 2238577

Structure parameters

• Chemical name: (<i>E</i>)-3-[5-(Diphenylamino)thiophen-2-yl]-1-(pyridin-3-yl)prop-2-en-1-one
• Formula: C24 H18 N2 O S
• Calculated formula: C24 H18 N2 O S
• SMILES: O=C(c1cccnc1)/C=C/c1ccc(s1)N(c1ccccc1)c1ccccc1
• Title of publication: (<i>E</i>)-3-[5-(Diphenylamino)thiophen-2-yl]-1-(pyridin-3-yl)prop-2-en-1-one
• Authors of publication: Li, Rui; Li, Dan-Dan; Wu, Jie-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1405
• a: 10.976 ± 0.005 Å
• b: 18.029 ± 0.005 Å
• c: 9.697 ± 0.005 Å
• α: 90°
• β: 90.728 ± 0.005°
• γ: 90°
• Cell volume: 1918.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes