Information card for entry 2023047

Structure parameters

• Chemical name: <i>N</i>-(6-Acetyl-1-nitronaphthalen-2-yl)acetamide
• Formula: C14 H12 N2 O4
• Calculated formula: C14 H12 N2 O4
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of <i>N</i>-(6-acetyl-1-nitro-naphthalen-2-yl)acetamide.
• Authors of publication: Shi, Xin-Wei; Zheng, Shao-Jun; Lu, Qiang-Qiang; Li, Gen; Zhou, Ya-Fu
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 4
• Pages of publication: 347 - 350
• a: 8.7649 ± 0.0014 Å
• b: 6.8899 ± 0.0011 Å
• c: 10.6868 ± 0.0018 Å
• α: 90°
• β: 104.676 ± 0.004°
• γ: 90°
• Cell volume: 624.31 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No