Information card for entry 2241158

Structure parameters

• Chemical name: 2-Methoxy-1-nitronaphthalene
• Formula: C11 H9 N O3
• Calculated formula: C11 H9 N O3
• SMILES: c1(c(ccc2c1cccc2)OC)N(=O)=O
• Title of publication: Crystal structure of 2-methoxy-1-nitronaphthalene
• Authors of publication: Yassine, Hasna; Khouili, Mostafa; El Ammari, Lahcen; Saadi, Mohamed; Ketatni, El Mostafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o701 - o702
• a: 9.1291 ± 0.0004 Å
• b: 10.2456 ± 0.0004 Å
• c: 10.5215 ± 0.0004 Å
• α: 86.39 ± 0.002°
• β: 82.964 ± 0.002°
• γ: 85.801 ± 0.002°
• Cell volume: 972.63 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0816
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes