Information card for entry 7158018

Structure parameters

• Formula: C10 H10 N2 S
• Calculated formula: C10 H10 N2 S
• SMILES: S1C(=NCC1=C)Nc1ccccc1
• Title of publication: Ag(I)-Catalyzed rapid access to 2-amino-4-methylenethiazolines with potential applications in bioconjugation chemistry.
• Authors of publication: Xiang, Lingling; Wu, Haiting; Liang, Yunshi; Deng, Huiying; He, Yiting; Xu, Qin; Zhang, Jing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 4060 - 4066
• a: 8.4613 ± 0.0005 Å
• b: 11.5857 ± 0.0007 Å
• c: 20.5398 ± 0.0013 Å
• α: 105.707 ± 0.004°
• β: 100.475 ± 0.004°
• γ: 90.015 ± 0.004°
• Cell volume: 1903.4 ± 0.2 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No