Information card for entry 2243884

Structure parameters

• Chemical name: 2-Nitro-3-phenyl-9<i>H</i>-carbazole
• Formula: C18 H12 N2 O2
• Calculated formula: C18 H12 N2 O2
• SMILES: O=N(=O)c1c(cc2c3c([nH]c2c1)cccc3)c1ccccc1
• Title of publication: Crystal structure, Hirshfeld surface and photophysical analysis of 2-nitro-3-phenyl-9<i>H</i>-carbazole
• Authors of publication: Singh, Neetu; Noh, Ga Hee; Park, Hyoung-Ryun; Lee, Junseong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 9
• a: 9.266 ± 0.0003 Å
• b: 12.959 ± 0.0004 Å
• c: 13.101 ± 0.0004 Å
• α: 96.2487 ± 0.0015°
• β: 109.181 ± 0.0015°
• γ: 106.106 ± 0.0014°
• Cell volume: 1392.39 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0491
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes