Information card for entry 2008451

Structure parameters

• Chemical name: 2-amino-4-phenylthiazole
• Formula: C9 H8 N2 S
• Calculated formula: C9 H8 N2 S
• SMILES: s1c(nc(c1)c1ccccc1)N
• Title of publication: 2-Amino-4-phenylthiazole
• Authors of publication: Au-Alvarez, Oscar; Peterson, Ronald C.; Crespo, Alexis Acosta; Esteva, Yolanda Rodríguez; Alvarez, Heidy Marquez; Stiven, Ana M. Plutín; Hernández, Ramón Pomés
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 821 - 823
• a: 12.105 ± 0.003 Å
• b: 12.105 ± 0.003 Å
• c: 5.776 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 846.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No