Information card for entry 2212051

Structure parameters

• Chemical name: 4-tert-Butyl-5-(2,4,5-trimethoxybenzyl)thiazol-2-amine
• Formula: C17 H24 N2 O3 S
• Calculated formula: C17 H24 N2 O3 S
• SMILES: s1c(nc(c1Cc1c(cc(c(c1)OC)OC)OC)C(C)(C)C)N
• Title of publication: 4-<i>tert</i>-Butyl-5-(2,4,5-trimethoxybenzyl)thiazol-2-amine
• Authors of publication: Juan-Juan Xu; Ai-Xi Hu; Gao Cao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o533 - o534
• a: 12.9869 ± 0.0007 Å
• b: 7.9512 ± 0.0004 Å
• c: 17.0466 ± 0.0009 Å
• α: 90°
• β: 99.07 ± 0.001°
• γ: 90°
• Cell volume: 1738.25 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1186
• 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: No
• Has Fobs: Yes