Information card for entry 2207578

Structure parameters

• Chemical name: 2-[N-(2-Ethoxyphenyl)carbamoylmethoxy]-N-(2-pyridylmethyl)benzamide
• Formula: C23 H23 N3 O4
• Calculated formula: C23 H23 N3 O4
• SMILES: O=C(NCc1ccccn1)c1ccccc1OCC(=O)Nc1ccccc1OCC
• Title of publication: 2-[<i>N</i>-(2-Ethoxyphenyl)carbamoylmethoxy]-<i>N</i>-(2-pyridylmethyl)benzamide
• Authors of publication: Yong-Hong Wen; Xue-Mei Li; Shu-Sheng Zhang; Mao-Jie Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4333 - o4335
• a: 8.7109 ± 0.0014 Å
• b: 10.8764 ± 0.0017 Å
• c: 11.251 ± 0.0018 Å
• α: 106.481 ± 0.003°
• β: 90.471 ± 0.003°
• γ: 100.828 ± 0.003°
• Cell volume: 1001.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes