Information card for entry 1549950

Structure parameters

• Chemical name: (3<i>E</i>)-3-{(2<i>E</i>)-3-[4-(Dimethylamino)phenyl]prop-2-enylidene}-3,4-dihydro-2<i>H</i>-chromen-4-one
• Formula: C20 H19 N O2
• Calculated formula: C20 H19 N O2
• SMILES: CN(C)c1ccc(cc1)/C=C/C=C/1COc2c(C1=O)cccc2
• Title of publication: Crystal structure of (3<i>E</i>)-3-{(2<i>E</i>)-3-[4-(dimethylamino)phenyl]prop-2-enylidene}-3,4-dihydro-2<i>H</i>-chromen-4-one
• Authors of publication: Biruntha, K.; Reuben Jonathan, D.; Mohamooda Sumaya, U.; Dravida Thendral, E. R. A.; Usha, G.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 9
• Pages of publication: x181273
• a: 9.362 ± 0.0004 Å
• b: 11.6073 ± 0.0005 Å
• c: 15.0732 ± 0.0007 Å
• α: 90°
• β: 98.859 ± 0.002°
• γ: 90°
• Cell volume: 1618.43 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes