Information card for entry 2214239

Structure parameters

• Chemical name: 2-Hydroxy-6-[(m-tolyliminio)methyl]phenolate
• Formula: C14 H13 N O2
• Calculated formula: C14 H13 N O2
• SMILES: [O-]c1c(O)cccc1/C=[NH+]/c1cc(ccc1)C
• Title of publication: 2-Hydroxy-6-[(<i>m</i>-tolyliminio)methyl]phenolate
• Authors of publication: Shuja, Shaukat; Ali, Saqib; Khalid, Nasir; Meetsma, Auke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3162 - o3164
• a: 7.7094 ± 0.0007 Å
• b: 10.5939 ± 0.0009 Å
• c: 14.8307 ± 0.0013 Å
• α: 72.274 ± 0.0015°
• β: 83.067 ± 0.0016°
• γ: 74.258 ± 0.0015°
• Cell volume: 1109.52 ± 0.17 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.073
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes