Information card for entry 2238206

Structure parameters

• Chemical name: <i>rac</i>-4-(4-Chlorophenyl)-2-methylamino-3-nitro-5,6,7,8-tetrahydro-4<i>H</i>-chromen-5-one
• Formula: C16 H15 Cl N2 O4
• Calculated formula: C16 H15 Cl N2 O4
• Title of publication: <i>rac</i>-4-(4-Chlorophenyl)-2-methylamino-3-nitro-5,6,7,8-tetrahydro-4<i>H</i>-chromen-5-one
• Authors of publication: Narayanan, P.; Kamalraja, Jayabal; Perumal, Paramasivam T.; Sethusankar, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1053 - o1054
• a: 8.0285 ± 0.0004 Å
• b: 10.846 ± 0.0005 Å
• c: 18.2337 ± 0.0009 Å
• α: 90°
• β: 94.067 ± 0.002°
• γ: 90°
• Cell volume: 1583.74 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes