Information card for entry 2223102

Structure parameters

• Common name: Quizalofop-P
• Chemical name: (<i>S</i>)-Ethyl 2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propanoate
• Formula: C19 H17 Cl N2 O4
• Calculated formula: C19 H17 Cl N2 O4
• SMILES: Clc1ccc2nc(Oc3ccc(O[C@H](C(=O)OCC)C)cc3)cnc2c1
• Title of publication: (<i>S</i>)-Ethyl 2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propanoate
• Authors of publication: Hu, Jun; Chen, Guo-song; Guo, Li-hua; Wang, Ji-kui; Xu, Yan-hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2082
• a: 9.97 ± 0.002 Å
• b: 4.476 ± 0.0009 Å
• c: 20.45 ± 0.004 Å
• α: 90°
• β: 94.54 ± 0.03°
• γ: 90°
• Cell volume: 909.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes