Information card for entry 2243450

Structure parameters

• Chemical name: 2-{[(4-Iodophenyl)imino]methyl}-4-nitrophenol
• Formula: C13 H9 I N2 O3
• Calculated formula: C13 H9 I N2 O3
• SMILES: Ic1ccc(/N=C/c2cc(ccc2O)N(=O)=O)cc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of 2-{[(4-iodophenyl)imino]methyl}-4-nitrophenol
• Authors of publication: Faizi, Md. Serajul Haque; Alagöz, Tenzile; Ahmed, Ruby; Cinar, Emine Berrin; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 1146 - 1149
• a: 12.8022 ± 0.0004 Å
• b: 24.4556 ± 0.0009 Å
• c: 4.1459 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1298.02 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes