Information card for entry 2227149

Structure parameters

• Common name: propachlor
• Chemical name: 2-Chloro-<i>N</i>-isopropyl-<i>N</i>-phenylacetamide
• Formula: C11 H14 Cl N O
• Calculated formula: C11 H14 Cl N O
• SMILES: ClCC(=O)N(c1ccccc1)C(C)C
• Title of publication: 2-Chloro-<i>N</i>-isopropyl-<i>N</i>-phenylacetamide
• Authors of publication: Yuan, Mao-Sen; Li, Zhi-peng; Wang, Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2017
• a: 11.919 ± 0.0011 Å
• b: 7.8042 ± 0.0008 Å
• c: 12.3789 ± 0.0013 Å
• α: 90°
• β: 98.963 ± 0.001°
• γ: 90°
• Cell volume: 1137.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes