Information card for entry 2019851

Structure parameters

• Chemical name: 2-Methylamino-3-nitro-4-<i>p</i>-tolylpyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one
• Formula: C20 H16 N2 O5
• Calculated formula: C20 H16 N2 O5
• SMILES: c12ccccc1c1c(C(C(=C(NC)O1)N(=O)=O)c1ccc(C)cc1)c(=O)o2
• Title of publication: Crystal structure of 2-methylamino-3-nitro-4-p-tolylpyrano[3,2-c]chromen-5(4H)-one
• Authors of publication: Govindaraj, J.; AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: o158
• a: 10.8336 ± 0.0011 Å
• b: 11.7927 ± 0.0011 Å
• c: 13.7275 ± 0.0014 Å
• α: 90°
• β: 108.357 ± 0.002°
• γ: 90°
• Cell volume: 1664.5 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes