Information card for entry 2238325

Structure parameters

• Chemical name: 2-Chloro-3-[(2-oxo-2<i>H</i>-chromen-6-yl)amino]naphthalene-1,4-dione
• Formula: C19 H10 Cl N O4
• Calculated formula: C19 H10 Cl N O4
• SMILES: O=c1ccc2c(o1)ccc(c2)NC1=C(Cl)C(=O)c2c(C1=O)cccc2
• Title of publication: 2-Chloro-3-[(2-oxo-2<i>H</i>-chromen-6-yl)amino]naphthalene-1,4-dione
• Authors of publication: Sousa, Mikaelly O. B.; Silveira, Gleiciani Q.; Gomez, Javier A. G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1317
• a: 10.9371 ± 0.0005 Å
• b: 10.4462 ± 0.0005 Å
• c: 13.5104 ± 0.0007 Å
• α: 90°
• β: 108.533 ± 0.005°
• γ: 90°
• Cell volume: 1463.53 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes