Information card for entry 2235102

Structure parameters

• Chemical name: 5-Bromo-4-(3,4-dimethoxyphenyl)thiazol-2-amine
• Formula: C11 H11 Br N2 O2 S
• Calculated formula: C11 H11 Br N2 O2 S
• SMILES: Brc1sc(nc1c1ccc(OC)c(OC)c1)N
• Title of publication: 5-Bromo-4-(3,4-dimethoxyphenyl)thiazol-2-amine
• Authors of publication: Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1631 - o1632
• a: 7.4873 ± 0.0002 Å
• b: 8.0359 ± 0.0002 Å
• c: 10.6428 ± 0.0003 Å
• α: 86.571 ± 0.002°
• β: 77.633 ± 0.002°
• γ: 85.33 ± 0.002°
• Cell volume: 622.82 ± 0.03 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes