Information card for entry 2218380

Structure parameters

• Chemical name: <i>N</i>-[2-(1,3-Benzodioxol-5-yl)ethyl]-2-chloroacetamide
• Formula: C11 H12 Cl N O3
• Calculated formula: C11 H12 Cl N O3
• SMILES: ClCC(=O)NCCc1ccc2OCOc2c1
• Title of publication: <i>N</i>-[2-(1,3-Benzodioxol-5-yl)ethyl]-2-chloroacetamide
• Authors of publication: Dong, Hui-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1118
• a: 14.429 ± 0.003 Å
• b: 5.1258 ± 0.001 Å
• c: 30.679 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2269 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes