Information card for entry 2200141

Structure parameters

• Chemical name: 4-(p-toluidinomethylene)-2-phenyl-2-oxazolin-5-one
• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• SMILES: O1C(=NC(C1=O)=CNc1ccc(cc1)C)c1ccccc1
• Title of publication: 2-Phenyl-4-(<i>p</i>-toluidinomethylene)-5-oxazolone
• Authors of publication: Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Singh, R. M; Srivastava, Ambika
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: o120 - o121
• a: 19.457 ± 0.002 Å
• b: 6.442 ± 0.001 Å
• c: 24.619 ± 0.001 Å
• α: 90°
• β: 110.95 ± 0.08°
• γ: 90°
• Cell volume: 2881.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes