Information card for entry 8101178

Structure parameters

• Common name: Chlortoluron
• Formula: C10 H13 Cl N2 O
• Calculated formula: C10 H13 Cl N2 O
• SMILES: c1cc(c(cc1NC(=O)N(C)C)Cl)C
• Title of publication: Crystal structure of 3-(3-chloro-p-tolyl)-1,1-dimethylurea, C~10~H~13~ClN~2~O
• Authors of publication: Pèpe, Gérard; Veesler, Stéphane; Astier, Jean-Pierre; Pfefer, Guillaume; Corti, Christelle
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 63 - 64
• a: 7.758 ± 0.001 Å
• b: 14.471 ± 0.002 Å
• c: 9.432 ± 0.001 Å
• α: 90°
• β: 100.18 ± 0.02°
• γ: 90°
• Cell volume: 1042.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0855
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No