Information card for entry 2009247

Structure parameters

• Formula: C8 H14 N4 S
• Calculated formula: C8 H14 N4 S
• Title of publication: Two Schiff base derivatives of 4-amino-3-propyl-1,2,4-triazole-5-thione
• Authors of publication: McCarrick, Robert M.; Squattrito, Philip J.; Singh, Rajkumar Noren; Handa, Ram N.; Dubey, Surendra N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2111 - 2114
• a: 8.425 ± 0.003 Å
• b: 9.427 ± 0.002 Å
• c: 8.087 ± 0.002 Å
• α: 103.64 ± 0.02°
• β: 109 ± 0.02°
• γ: 108.39 ± 0.02°
• Cell volume: 533.7 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 2.27
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No