Information card for entry 8107671

Structure parameters

• Formula: C16 H11 N O2
• Calculated formula: C16 H11 N O2
• Title of publication: The crystal structure of 2-anilino-1,4-naphthoquinone, C10H11NO2
• Authors of publication: Elmakki, Mohammed A.; Taoana, Thato N.; Jacobs, Frederick J. F.; Venter, Johan A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1101 - 1102
• a: 3.7617 ± 0.0003 Å
• b: 12.9267 ± 0.001 Å
• c: 23.4609 ± 0.0017 Å
• α: 90°
• β: 92.337 ± 0.003°
• γ: 90°
• Cell volume: 1139.87 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0506
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No