Information card for entry 2213030

Structure parameters

• Chemical name: 2-Amino-4-(4-chloro-3-methylphenyl)-5-propyl-1,3-thiazolium iodide
• Formula: C13 H16 Cl I N2 S
• Calculated formula: C13 H16 Cl I N2 S
• Title of publication: 2-Amino-4-(4-chloro-3-methylphenyl)-5-propyl-1,3-thiazolium iodide
• Authors of publication: Maksymilian Chruszcz; Yali Kong; Zbigniew Dauter; Milton Brown; Wladek Minor
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1598 - o1600
• a: 7.761 ± 0.001 Å
• b: 9.659 ± 0.001 Å
• c: 20.145 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1510.1 ± 0.3 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No