Information card for entry 1551244

Structure parameters

• Chemical name: (<i>E</i>)-4-Iodo-2-[(phenylimino)methyl]phenol
• Formula: C13 H10 I N O
• Calculated formula: C13 H10 I N O
• SMILES: c1(cc(ccc1O)I)/C=N/c1ccccc1
• Title of publication: (E)-4-Iodo-2-[(phenylimino)methyl]phenol
• Authors of publication: Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 6
• a: 7.0848 ± 0.0008 Å
• b: 26.422 ± 0.003 Å
• c: 6.2664 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1173 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2228
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes