Information card for entry 2218947

Structure parameters

• Chemical name: 4-Amino-3-{1-[4-(2-methylpropyl)phenyl]ethyl}-1<i>H</i>-1,2,4-triazole-5(4H)-thione
• Formula: C14 H20 N4 S
• Calculated formula: C14 H20 N4 S
• Title of publication: 4-Amino-3-{1-[4-(2-methylpropyl)phenyl]ethyl}-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione
• Authors of publication: Fun, Hoong-Kun; Sujith, K. V.; Patil, P. S.; Kalluraya, B.; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1590 - o1591
• a: 5.972 ± 0.0003 Å
• b: 8.5153 ± 0.0005 Å
• c: 14.8271 ± 0.0006 Å
• α: 90°
• β: 97.223 ± 0.003°
• γ: 90°
• Cell volume: 748.02 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes