Information card for entry 2232672

Structure parameters

• Chemical name: <i>N</i>-[(<i>E</i>)-Anthracen-9-ylmethylidene]-3,4-dimethyl-1,2-oxazol-5-amine
• Formula: C20 H16 N2 O
• Calculated formula: C20 H16 N2 O
• SMILES: o1nc(c(c1/N=C/c1c2ccccc2cc2ccccc12)C)C
• Title of publication: <i>N</i>-[(<i>E</i>)-Anthracen-9-ylmethylidene]-3,4-dimethyl-1,2-oxazol-5-amine
• Authors of publication: Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Khan, Salman A.; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3487
• a: 22.4919 ± 0.0014 Å
• b: 6.1666 ± 0.0004 Å
• c: 22.6801 ± 0.0013 Å
• α: 90°
• β: 102.015 ± 0.002°
• γ: 90°
• Cell volume: 3076.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0633
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes