Information card for entry 7243399

Structure parameters

• Formula: C17 H12 N2 S2
• Calculated formula: C17 H12 N2 S2
• Title of publication: TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions
• Authors of publication: Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 45
• Pages of publication: 28061 - 28071
• a: 11.1404 ± 0.0004 Å
• b: 14.6012 ± 0.0006 Å
• c: 9.2447 ± 0.0003 Å
• α: 90°
• β: 104.497 ± 0.001°
• γ: 90°
• Cell volume: 1455.89 ± 0.09 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No