Information card for entry 2222650

Structure parameters

• Chemical name: (<i>E</i>)-3-Dimethylamino-1-(2-thienyl)prop-2-en-1-one
• Formula: C9 H11 N O S
• Calculated formula: C9 H11 N O S
• SMILES: c1(cccs1)C(=O)/C=C/N(C)C
• Title of publication: (<i>E</i>)-3-Dimethylamino-1-(2-thienyl)prop-2-en-1-one
• Authors of publication: Bi, Jian-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1847
• a: 5.9618 ± 0.0012 Å
• b: 8.1241 ± 0.0016 Å
• c: 19.449 ± 0.004 Å
• α: 90°
• β: 92.91 ± 0.003°
• γ: 90°
• Cell volume: 940.8 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes