Information card for entry 1520753

Structure parameters

• Formula: C13 H13 Cl N2 O2 S
• Calculated formula: C13 H13 Cl N2 O2 S
• Title of publication: Effective Recognition of Different Types of Amino Groups: From Aminobenzenesulfonamides to Amino-(N-alkyl)benzenesulfonamides via Iridium-Catalyzed N-Alkylation with Alcohols.
• Authors of publication: Lu, Lei; Ma, Juan; Qu, Panpan; Li, Feng
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2350 - 2353
• a: 15.767 ± 0.003 Å
• b: 5.759 ± 0.0012 Å
• c: 15.721 ± 0.003 Å
• α: 90°
• β: 112.32 ± 0.03°
• γ: 90°
• Cell volume: 1320.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No