Information card for entry 2009445

Structure parameters

• Formula: C9 H18 Cl2 N6 O S
• Calculated formula: C9 H18 Cl2 N6 O S
• Title of publication: Structure of 5-[(1-amidiniohydrazono)ethyl]-4-methyl-2-methylthio-3<i>H</i>^+^-pyrimidinium dichloride hydrate, C~19~H~16~N~6~S^2+^.2Cl^{-^}.H~2~O
• Authors of publication: Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 286 - 289
• a: 7.652 ± 0.007 Å
• b: 10.481 ± 0.005 Å
• c: 11.076 ± 0.006 Å
• α: 67.37 ± 0.04°
• β: 71.67 ± 0.06°
• γ: 75.93 ± 0.06°
• Cell volume: 770.7 ± 1 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.079
• Goodness-of-fit parameter for significantly intense reflections: 0.92
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No