Information card for entry 2311148

Structure parameters

• Chemical name: 6-[(2,4-Dimethylanilino)methylidene]-2-hydroxycyclohexa-2,4-dienone
• Formula: C15 H15 N O2
• Calculated formula: C15 H15 N O2
• SMILES: Oc1cccc(/C=[NH+]/c2c(cc(cc2)C)C)c1[O-]
• Title of publication: 6-[(2,4-Di-methyl-anilino)methyl-idene]-2-hy-droxy-cyclo-hexa-2,4-dienone.
• Authors of publication: Shujah, Shaukat; Ali, Saqib; Zia-Ur-Rehman, ?; Tahir, M. Nawaz; Meetsma, Auke
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 6
• Pages of publication: o871
• a: 7.6731 ± 0.0008 Å
• b: 8.4348 ± 0.0009 Å
• c: 10.5806 ± 0.0012 Å
• α: 80.6107 ± 0.0018°
• β: 75.8216 ± 0.0019°
• γ: 63.3573 ± 0.0016°
• Cell volume: 592.31 ± 0.11 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: 0.0458
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No