Information card for entry 2013504

Structure parameters

• Chemical name: 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4(5H)-one
• Formula: C11 H12 N2 O3 S
• Calculated formula: C11 H12 N2 O3 S
• SMILES: S1C(=NC(=O)C1c1cc(OC)ccc1OC)N
• Title of publication: 2-Aminothiazole and 2-aminothiazolinone derivatives
• Authors of publication: Toplak, Renata; Lah, Nina; Volmajer, Julija; Leban, Ivan; Majcen Le Marechal, Alenka
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o502 - o505
• a: 6.9572 ± 0.0005 Å
• b: 8.1499 ± 0.0007 Å
• c: 10.4564 ± 0.001 Å
• α: 99.8 ± 0.002°
• β: 101.05 ± 0.002°
• γ: 99.54 ± 0.002°
• Cell volume: 561.21 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes