Information card for entry 2235597

Structure parameters

• Chemical name: 3-[(<i>E</i>)-(Pyridin-3-ylimino)methyl]phenol
• Formula: C12 H10 N2 O
• Calculated formula: C12 H10 N2 O
• SMILES: Oc1cc(ccc1)/C=N/c1cccnc1
• Title of publication: 3-[(<i>E</i>)-(Pyridin-3-ylimino)methyl]phenol
• Authors of publication: Tahir, M. Nawaz; Ali, Akbar; Umar, M. Naveed; Hussain, Ishtiaq; Shad, Hazoor Ahmad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2072
• a: 5.7768 ± 0.0005 Å
• b: 12.145 ± 0.0011 Å
• c: 14.8194 ± 0.0013 Å
• α: 78.207 ± 0.004°
• β: 89.641 ± 0.003°
• γ: 77.601 ± 0.004°
• Cell volume: 993.26 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes