Information card for entry 8105066

Structure parameters

• Common name: 3-nitro-4-(<i>p</i>-tolylamino)-coumarin
• Chemical name: 3-nitro-4-(<i>p</i>-tolylamino)-2<i>H</i>-chromen-2-one
• Formula: C16 H12 N2 O4
• Calculated formula: C16 H12 N2 O4
• Title of publication: The crystal structure of 3-nitro-4-(p-tolylamino)-2H-chromen-2-one, C16H12N2O4
• Authors of publication: Dekić, Vidoslav S.; Rodić, Marko V.; Radulović, Niko S.; Ristić, Milenko N.; Dekić, Biljana R.; Gurešić, Dejan M.; Ristić, Novica R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 225 - 227
• a: 10.7105 ± 0.0005 Å
• b: 11.2685 ± 0.0005 Å
• c: 13.0145 ± 0.0006 Å
• α: 99.292 ± 0.004°
• β: 109.607 ± 0.004°
• γ: 96.771 ± 0.004°
• Cell volume: 1435.01 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No