Information card for entry 2212759

Structure parameters

• Common name: 3-(p-methyanilino)phthalide
• Chemical name: 3-(4-methyanilino)isobenzofuran-1(3H)-one
• Formula: C15 H13 N O2
• Calculated formula: C15 H13 N O2
• Title of publication: 3-(4-Methylanilino)isobenzofuran-1(3<i>H</i>)-one
• Authors of publication: Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1999 - o2001
• a: 13.251 ± 0.0009 Å
• b: 6.8217 ± 0.0003 Å
• c: 16.0257 ± 0.0012 Å
• α: 90°
• β: 123.391 ± 0.005°
• γ: 90°
• Cell volume: 1209.51 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0502
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes