Information card for entry 2227343

Structure parameters

• Chemical name: (2<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(2,5-dimethyl-3- thienyl)prop-2-en-1-one
• Formula: C17 H19 N O S
• Calculated formula: C17 H19 N O S
• SMILES: Cc1sc(c(c1)C(=O)/C=C/c1ccc(cc1)N(C)C)C
• Title of publication: (2<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(2,5-dimethyl-3-thienyl)prop-2-en-1-one
• Authors of publication: Asiri, Abdullah M.; Khan, Salman A.; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2404
• a: 7.7665 ± 0.0002 Å
• b: 12.8624 ± 0.0004 Å
• c: 16.0318 ± 0.0004 Å
• α: 79.917 ± 0.001°
• β: 80.029 ± 0.002°
• γ: 79.3 ± 0.001°
• Cell volume: 1532.9 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0839
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes