Information card for entry 2203122

Structure parameters

• Chemical name: 4-(Pyridin-2-yl)thiazol-2-ylamine
• Formula: C8 H7 N3 S
• Calculated formula: C8 H7 N3 S
• SMILES: s1c(N)nc(c1)c1ncccc1
• Title of publication: 4-(Pyridin-2-yl)thiazol-2-ylamine
• Authors of publication: Jonathan D Crane; Amanda McLaughlin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o129 - o130
• a: 13.2392 ± 0.001 Å
• b: 13.7499 ± 0.0009 Å
• c: 14.1126 ± 0.0012 Å
• α: 90°
• β: 109.268 ± 0.006°
• γ: 90°
• Cell volume: 2425.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes