Information card for entry 2227971

Structure parameters

• Chemical name: 3-Methyl-4-[(<i>E</i>)-3-thienylmethylideneamino]-1<i>H</i>-1,2,4-triazole- 5(4<i>H</i>)-thione
• Formula: C8 H8 N4 S2
• Calculated formula: C8 H8 N4 S2
• Title of publication: 3-Methyl-4-[(<i>E</i>)-3-thienylmethylideneamino]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione
• Authors of publication: Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2861 - o2862
• a: 9.3108 ± 0.0007 Å
• b: 10.2848 ± 0.0008 Å
• c: 12.7798 ± 0.001 Å
• α: 66.632 ± 0.002°
• β: 83.409 ± 0.002°
• γ: 63.974 ± 0.002°
• Cell volume: 1006.88 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 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 all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes