Information card for entry 4027107

Structure parameters

• Common name: 1-Dimethylsulfamoyl-5-phenylazoimidazole
• Formula: C11 H13 N5 O2 S
• Calculated formula: C11 H13 N5 O2 S
• SMILES: n1(cncc1N=Nc1ccccc1)S(=O)(=O)N(C)C
• Title of publication: Photoswitchable Azoheterocycles via Coupling of Lithiated Imidazoles with Benzenediazonium Salts
• Authors of publication: Thore Wendler; Christian Schütt; Christian Näther; Rainer Herges
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 3284 - 3287
• a: 14.0124 ± 0.0009 Å
• b: 6.3282 ± 0.0003 Å
• c: 15.2728 ± 0.001 Å
• α: 90°
• β: 106.082 ± 0.008°
• γ: 90°
• Cell volume: 1301.29 ± 0.14 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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 all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No