Information card for entry 2243134

Structure parameters

• Chemical name: 2-[4-(Dimethylamino)benzylidene]-1<i>H</i>-indene-1,3(2<i>H</i>)-dione
• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• SMILES: O=C1C(=Cc2ccc(N(C)C)cc2)C(=O)c2c1cccc2
• Title of publication: Crystal structures, syntheses, and spectroscopic and electrochemical measurements of two push‒pull chromophores: 2-[4-(dimethylamino)benzylidene]-1<i>H</i>-indene-1,3(2<i>H</i>)-dione and (<i>E</i>)-2-{3-[4-(dimethylamino)phenyl]allylidene}-1<i>H</i>-indene-1,3(2<i>H</i>)-dione
• Authors of publication: Bogdanov, Georgii; Tillotson, John P.; Timofeeva, Tatiana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1595 - 1599
• a: 9.2298 ± 0.0009 Å
• b: 9.0302 ± 0.0009 Å
• c: 16.7375 ± 0.0017 Å
• α: 90°
• β: 97.863 ± 0.001°
• γ: 90°
• Cell volume: 1381.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes