Information card for entry 2238240

Structure parameters

• Common name: (<i>E</i>)-1-(2-Aminophenyl)-3-(thiophen-2-yl)prop-2-en-1-one
• Chemical name: (<i>E</i>)-1-(2-Aminophenyl)-3-(thiophen-2-yl)prop-2-en-1-one
• Formula: C13 H11 N O S
• Calculated formula: C13 H11 N O S
• SMILES: O=C(c1ccccc1N)/C=C/c1cccs1
• Title of publication: (<i>E</i>)-1-(2-Aminophenyl)-3-(thiophen-2-yl)prop-2-en-1-one
• Authors of publication: Chantrapromma, Suchada; Ruanwas, Pumsak; Boonnak, Nawong; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1004 - o1005
• a: 24.9335 ± 0.0004 Å
• b: 5.0278 ± 0.0001 Å
• c: 18.6813 ± 0.0003 Å
• α: 90°
• β: 111.151 ± 0.001°
• γ: 90°
• Cell volume: 2184.13 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes