Information card for entry 2241144

Structure parameters

• Common name: mandipropamid
• Chemical name: (<i>RS</i>)-2-(4-Chlorophenyl)-<i>N</i>-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-ynyloxy)acetamide
• Formula: C23 H22 Cl N O4
• Calculated formula: C23 H22 Cl N O4
• SMILES: Clc1ccc(cc1)C(OCC#C)C(=O)NCCc1cc(OC)c(OCC#C)cc1
• Title of publication: Crystal structure of mandipropamid
• Authors of publication: Park, Hyunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o727 - o728
• a: 26.3733 ± 0.0017 Å
• b: 9.474 ± 0.0006 Å
• c: 8.4882 ± 0.0005 Å
• α: 90°
• β: 91.013 ± 0.003°
• γ: 90°
• Cell volume: 2120.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0721
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes