Information card for entry 2241719

Structure parameters

• Chemical name: 3-[(<i>E</i>)-(6-Methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene)methyl]pyridin-2(1<i>H</i>)-one
• Formula: C17 H15 N O3
• Calculated formula: C17 H15 N O3
• SMILES: O=c1[nH]cccc1/C=C1\CCc2c(C1=O)ccc(OC)c2
• Title of publication: Crystal structure of (<i>E</i>)-2-[(2-bromopyridin-3-yl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1(2<i>H</i>)-one and 3-[(<i>E</i>)-(6-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene)methyl]pyridin-2(1<i>H</i>)-one
• Authors of publication: Zingales, Sarah K.; Moore, Morgan E.; Goetz, Andrew D.; Padgett, Clifford W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 955 - 958
• a: 8.079 ± 0.008 Å
• b: 12.296 ± 0.012 Å
• c: 14.009 ± 0.013 Å
• α: 88.85 ± 0.03°
• β: 76.969 ± 0.016°
• γ: 89.43 ± 0.03°
• Cell volume: 1356 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes