Information card for entry 2220337

Structure parameters

• Chemical name: 2-Amino-4-<i>tert</i>-butyl-5-(4-chlorobenzyl)thiazole
• Formula: C14 H17 Cl N2 S
• Calculated formula: C14 H17 Cl N2 S
• SMILES: Clc1ccc(Cc2sc(nc2C(C)(C)C)N)cc1
• Title of publication: 2-Amino-4-<i>tert</i>-butyl-5-(4-chlorobenzyl)thiazole
• Authors of publication: Wang, Yong-Tao; Xia, Lin; Hu, Ai-Xi; Cao, Gao; Xu, Juan-Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2350
• a: 21.1775 ± 0.0013 Å
• b: 5.8544 ± 0.0004 Å
• c: 22.8193 ± 0.0014 Å
• α: 90°
• β: 98.548 ± 0.001°
• γ: 90°
• Cell volume: 2797.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes