Information card for entry 2206681

Structure parameters

• Chemical name: 7-Diethylamino-3-dimethylamino-2H-1-benzopyran-2-one
• Formula: C15 H20 N2 O2
• Calculated formula: C15 H20 N2 O2
• SMILES: o1c(=O)c(N(C)C)cc2ccc(N(CC)CC)cc12
• Title of publication: 7-Diethylamino-3-dimethylamino-2<i>H</i>-1-benzopyran-2-one
• Authors of publication: Takahashi, Hajime; Takechi, Haruko; Kubo, Kanji; Matsumoto, Taisuke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o3041 - o3043
• a: 6.596 ± 0.003 Å
• b: 14.36 ± 0.006 Å
• c: 14.549 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1378.1 ± 1 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes