Information card for entry 2010310

Structure parameters

• Formula: C16 H16 N4 O S
• Calculated formula: C16 H16 N4 O S
• SMILES: C[C@@]1(n2cccn2)n2ccsc2=N[C@]1(O)Cc1ccccc1.C[C@]1(n2cccn2)n2ccsc2=N[C@@]1(O)Cc1ccccc1
• Title of publication: A 5,6-dihydroimidazo[2,1-<i>b</i>]thiazole derivative
• Authors of publication: Zukerman-Schpector, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2077 - 2079
• a: 21.217 ± 0.002 Å
• b: 11.555 ± 0.001 Å
• c: 13.079 ± 0.002 Å
• α: 90°
• β: 108.61 ± 0.01°
• γ: 90°
• Cell volume: 3038.8 ± 0.6 ų
• Cell temperature: 292 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 1.58
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No