Information card for entry 8102411

Structure parameters

• Common name: Chloropropham
• Chemical name: Isopropyl-N-(3-chlorophenyl)carbamate
• Formula: C10 H12 Cl N O2
• Calculated formula: C10 H12 Cl N O2
• SMILES: Clc1cc(NC(=O)OC(C)C)ccc1
• Title of publication: Crystal structure of isopropyl-N-(3-chlorophenyl)carbamate, C10H12ClNO2, Chloropropham
• Authors of publication: Richard J. Staples; Julian A. Gingold
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 121
• a: 20.935 ± 0.005 Å
• b: 13.964 ± 0.003 Å
• c: 22.386 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6544 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No