Information card for entry 2208487

Structure parameters

• Chemical name: 2-Amino-4-(4'-methoxyphenyl)-1,3-thiazole
• Formula: C10 H10 N2 O S
• Calculated formula: C10 H10 N2 O S
• SMILES: s1c(N)nc(c1)c1ccc(OC)cc1
• Title of publication: 2-Amino-4-(4-methoxyphenyl)-1,3-thiazole
• Authors of publication: Hökelek, Tuncer; Seferoğlu, Zeynel; Ertan, Nermin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1609 - o1611
• a: 7.181 ± 0.002 Å
• b: 7.75 ± 0.002 Å
• c: 17.994 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1001.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes