Information card for entry 2210538

Structure parameters

• Chemical name: (E)-2-hydroxy-6-[(o-tolyliminio)methyl]phenolate 0.07-hydrate
• Formula: C14 H13.14 N O2.07
• Calculated formula: C14 H13 N O2.07
• Title of publication: Zwitterionic (<i>E</i>)-2-hydroxy-6-[(<i>o</i>-tolyliminio)methyl]phenolate 0.07-hydrate
• Authors of publication: Temel, Ersin; Albayrak, Çiĝdem; Büyükgüngör, Orhan; Odabaşoğlu, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4484 - o4486
• a: 23.9334 ± 0.0014 Å
• b: 7.2265 ± 0.0005 Å
• c: 13.9798 ± 0.001 Å
• α: 90°
• β: 107.135 ± 0.005°
• γ: 90°
• Cell volume: 2310.6 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes