Information card for entry 2226002

Structure parameters

• Chemical name: <i>N</i>-(3,4-Difluorophenyl)-3,4,5-trimethoxybenzamide
• Formula: C16 H15 F2 N O4
• Calculated formula: C16 H15 F2 N O4
• SMILES: c1(cc(c(c(c1)OC)OC)OC)C(=O)Nc1cc(c(cc1)F)F
• Title of publication: <i>N</i>-(3,4-Difluorophenyl)-3,4,5-trimethoxybenzamide
• Authors of publication: Choi, Hyeong; Han, Byung Hee; Lee, Taewoo; Kang, Sung Kwon; Sung, Chang Keun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1142
• a: 5.0031 ± 0.0003 Å
• b: 8.8986 ± 0.0005 Å
• c: 32.726 ± 0.002 Å
• α: 90°
• β: 93.896 ± 0.004°
• γ: 90°
• Cell volume: 1453.61 ± 0.15 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 5
• 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: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes