Information card for entry 2229413

Structure parameters

• Chemical name: 4-(2,4,6-Trimethylbenzyl)-1,3-thiazol-2-amine
• Formula: C13 H16 N2 S
• Calculated formula: C13 H16 N2 S
• SMILES: s1c(N)nc(c1)Cc1c(cc(cc1C)C)C
• Title of publication: 4-(2,4,6-Trimethylbenzyl)-1,3-thiazol-2-amine
• Authors of publication: Maharramov, Abel M.; Khalilov, Ali N.; Gurbanov, Atash V.; Allahverdiyev, Mirze A.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o721
• a: 5.5028 ± 0.0005 Å
• b: 30.832 ± 0.003 Å
• c: 7.8355 ± 0.0007 Å
• α: 90°
• β: 110.016 ± 0.001°
• γ: 90°
• Cell volume: 1249.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0495
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes