Information card for entry 2214405

Structure parameters

• Chemical name: 2-Amino-4,5-dihydro-1<i>H</i>-imidazol-3-ium 7,8-dihydroimidazo[1,2-<i>c</i>][1,3,5]thiadiazine-2,4(6<i>H</i>)-dithione(1-) dimethylformamide disolvate
• Formula: C14 H26 N8 O2 S3
• Calculated formula: C14 H26 N8 O2 S3
• SMILES: [S-]C1=NC2=NCCN2C(=S)S1.[NH+]1=C(NCC1)N.O=CN(C)C.O=CN(C)C
• Title of publication: 2-Amino-4,5-dihydro-1<i>H</i>-imidazol-3-ium 7,8-dihydroimidazo[1,2-<i>c</i>][1,3,5]thiadiazine-2,4(6<i>H</i>)-dithione(1{-}) dimethylformamide disolvate
• Authors of publication: Maria Gdaniec; Jarosław Saczewski; Franciszek Saczewski
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3329 - o3329
• a: 6.8301 ± 0.0007 Å
• b: 12.1321 ± 0.0014 Å
• c: 12.9487 ± 0.001 Å
• α: 79.232 ± 0.007°
• β: 89.907 ± 0.007°
• γ: 82.125 ± 0.007°
• Cell volume: 1043.82 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes