Information card for entry 2242938

Structure parameters

• Chemical name: (<i>Z</i>)-6-[(2-Hydroxy-4-methylanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one
• Formula: C15 H15 N O2
• Calculated formula: C15 H15 N O2
• SMILES: Oc1c(N/C=C2\C(=O)C=CC(=C2)C)ccc(c1)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-6-[(2-hydroxy-4-methylanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one
• Authors of publication: Kansiz, Sevgi; Aydin, Alev Sema; Dege, Necmi; Agar, Erbil; Fritsky, Igor O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 785 - 788
• a: 11.3954 ± 0.0019 Å
• b: 11.746 ± 0.002 Å
• c: 10.3067 ± 0.0017 Å
• α: 90°
• β: 115.94 ± 0.012°
• γ: 90°
• Cell volume: 1240.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1368
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes