Information card for entry 2006233

Structure parameters

• Formula: C13 H10 I N O
• Calculated formula: C13 H10 I N O
• SMILES: c1(ccccc1/C=N/c1ccccc1I)O
• Title of publication: 2-[(2-Iodophenyl)iminomethyl]phenol
• Authors of publication: Elmali, Ayhan; Elerman, Yalc̨in
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 791 - 793
• a: 7.4538 ± 0.0006 Å
• b: 12.563 ± 0.002 Å
• c: 12.983 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1215.8 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for all reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0577
• Goodness-of-fit parameter for all reflections: 1.093
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No