Information card for entry 2243825

Structure parameters

• Chemical name: <i>N</i>-[(<i>Z</i>)-(2-Hydroxyphenyl)methylidene]aniline <i>N</i>-oxide
• Formula: C13 H11 N O2
• Calculated formula: C13 H11 N O2
• SMILES: Oc1c(cccc1)C=N(=O)c1ccccc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of <i>N</i>-[(<i>Z</i>)-(2-hydroxyphenyl)methylidene]aniline <i>N</i>-oxide
• Authors of publication: Mohamed, Shaaban K.; Said, Awad I.; Mague, Joel T.; Aly, Moustafa F.; Akkurt, Mehmet; Elgarhy, Sahar M. I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 6
• Pages of publication: 596 - 599
• a: 5.5391 ± 0.0001 Å
• b: 5.7873 ± 0.0002 Å
• c: 16.0859 ± 0.0004 Å
• α: 90°
• β: 99.067 ± 0.001°
• γ: 90°
• Cell volume: 509.21 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes