Information card for entry 2018108

Structure parameters

• Chemical name: Methyl 2-benzamido-4-(3,4-dimethoxyphenyl)-5-methylbenzoate
• Formula: C24 H23 N O5
• Calculated formula: C24 H23 N O5
• SMILES: N(c1c(cc(c(c1)c1cc(OC)c(OC)cc1)C)C(=O)OC)C(=O)c1ccccc1
• Title of publication: Methyl 2-benzamido-4-(3,4-dimethoxyphenyl)-5-methylbenzoate and <i>N</i>-{5-benzoyl-2-[(<i>Z</i>)-2-methoxyethenyl]-4-methylphenyl}benzamide
• Authors of publication: Kranjc, Krištof; Kočevar, Marijan; Perdih, Franc
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o201 - o205
• a: 7.6516 ± 0.0001 Å
• b: 14.781 ± 0.0003 Å
• c: 17.8063 ± 0.0004 Å
• α: 90°
• β: 95.8175 ± 0.0008°
• γ: 90°
• Cell volume: 2003.49 ± 0.07 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes