Information card for entry 2242071

Structure parameters

• Common name: Chalcone-Thiophene
• Chemical name: (2<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(thiophen-2-yl)prop-2-en-1-one
• Formula: C15 H15 N O S
• Calculated formula: C15 H15 N O S
• SMILES: c1(ccc(cc1)N(C)C)/C=C/C(=O)c1cccs1
• Title of publication: Crystal structure of (2<i>E</i>)-3-[4-(dimethylamino)phenyl]-1-(thiophen-2-yl)prop-2-en-1-one
• Authors of publication: de Oliveira, Gabriela Porto; Bresolin, Leandro; Flores, Darlene Correia; de Farias, Renan Lira; de Oliveira, Adriano Bof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 476 - 480
• a: 6.2405 ± 0.0004 Å
• b: 9.9975 ± 0.0006 Å
• c: 20.7815 ± 0.0013 Å
• α: 90°
• β: 93.097 ± 0.002°
• γ: 90°
• Cell volume: 1294.65 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes