Information card for entry 2239593

Structure parameters

• Chemical name: 7,7-Dimethyl-2-methylamino-4-(4-methylphenyl)-3-nitro-7,8-dihydro-4<i>H</i>-chromen-5(6<i>H</i>)-one
• Formula: C19 H22 N2 O4
• Calculated formula: C19 H22 N2 O4
• SMILES: c1(ccc(cc1)C1C(=C(NC)OC2=C1C(=O)CC(C)(C)C2)N(=O)=O)C
• Title of publication: 7,7-Dimethyl-2-methylamino-4-(4-methylphenyl)-3-nitro-7,8-dihydro-4<i>H</i>-chromen-5(6<i>H</i>)-one
• Authors of publication: Inglebert, S. Antony; Kamalraja, Jayabal; Sethusankar, K.; Perumal, Paramasivam T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o710 - o711
• a: 9.4373 ± 0.0005 Å
• b: 15.8487 ± 0.0008 Å
• c: 12.1414 ± 0.0006 Å
• α: 90°
• β: 105.122 ± 0.001°
• γ: 90°
• Cell volume: 1753.09 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0519
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes