Information card for entry 2005982

Structure parameters

• Formula: C14 H13 N O2
• Calculated formula: C14 H13 N O2
• SMILES: Cc1ccc(cc1)Nc1ccc2c(c1)OCO2
• Title of publication: 5-(<i>p</i>-Tolylamino)benzo-1,3-dioxole
• Authors of publication: Chatel, F.; Boyer, G.; Galy, J. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 391 - 393
• a: 19.186 ± 0.0006 Å
• b: 6.4523 ± 0.0004 Å
• c: 20.9867 ± 0.0006 Å
• α: 90 ± 0.2°
• β: 118.69 ± 0.02°
• γ: 90 ± 0.2°
• Cell volume: 2279.1 ± 0.5 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.079
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.725
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No