Information card for entry 2241185

Structure parameters

• Chemical name: 1-Methyl-2-methylamino-3-nitro-1<i>H</i>-chromeno[2,3-<i>b</i>]pyridin-5(10a<i>H</i>)-one
• Formula: C14 H13 N3 O4
• Calculated formula: C14 H13 N3 O4
• SMILES: C12=CC(=C(NC)N(C)C1Oc1ccccc1C2=O)N(=O)=O
• Title of publication: Crystal structure of 1-methyl-2-methylamino-3-nitro-1<i>H</i>-chromeno[2,3-<i>b</i>]pyridin-5(10<i>aH</i>)-one
• Authors of publication: Raja, Rajamani; Poomathi, Nataraj; Perumal, Paramasivam T.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o824 - o825
• a: 24.0182 ± 0.0013 Å
• b: 26.8445 ± 0.0014 Å
• c: 7.914 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5102.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes