Information card for entry 2243571

Structure parameters

• Chemical name: (<i>E</i>)-2-{[(2-Iodophenyl)imino]methyl}-6-methylphenol
• Formula: C14 H12 I N O
• Calculated formula: C14 H12 I N O
• SMILES: c1(ccccc1/N=C/c1cccc(c1O)C)I
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-{[(2-iodophenyl)imino]methyl}-6-methylphenol
• Authors of publication: Kansiz, Sevgi; Agar, Tuggan; Dege, Necmi; Dogan, Onur Erman; Ahmed, Ruby; Saif, Eiad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 10
• Pages of publication: 1595 - 1598
• a: 8.173 ± 0.0004 Å
• b: 11.8143 ± 0.0009 Å
• c: 13.1721 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1271.88 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes