Information card for entry 2003281

Structure parameters

• Formula: C7 H12 N4 S2
• Calculated formula: C7 H12 N4 S2
• Title of publication: A 1:1 Adduct of 4,6-Dimethylpyrimidine-2(1<i>H</i>)-thione and Thiourea
• Authors of publication: Seth, S.; Sur, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 487 - 489
• a: 7.511 ± 0.003 Å
• b: 9.468 ± 0.005 Å
• c: 8.142 ± 0.002 Å
• α: 88.26 ± 0.04°
• β: 112.69 ± 0.02°
• γ: 92.23 ± 0.04°
• Cell volume: 533.7 ± 0.4 ų
• Cell temperature: 295 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: 0.034
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No