Information card for entry 2001266

Structure parameters

• Formula: C13 H14 N2 O2
• Calculated formula: C13 H14 N2 O2
• SMILES: Cc1onc(c1)NC(=O)c1c(C)cccc1C
• Title of publication: 2,6-Diméthyl-<i>N</i>-(5-méthyl-3-isoxazolyl)benzamide
• Authors of publication: Rodier, N.; Céolin, R.; Dugué, J.; Lepage, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 2037 - 2039
• a: 12.226 ± 0.002 Å
• b: 8.565 ± 0.001 Å
• c: 12.675 ± 0.001 Å
• α: 90°
• β: 109.85 ± 0.01°
• γ: 90°
• Cell volume: 1248.4 ± 0.3 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.051
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKᾱ
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No