Information card for entry 2225781

Structure parameters

• Chemical name: 8-Bromo-3,4-dihydro-2<i>H</i>1,3-thiazino[2,3:2',1']imidazo[5',4'- <i>b</i>]pyridine
• Formula: C9 H8 Br N3 S
• Calculated formula: C9 H8 Br N3 S
• SMILES: Brc1cnc2c(c1)nc1n2CCCS1
• Title of publication: 8-Bromo-3,4-dihydro-2<i>H</i>-1,3-thiazino[2,3:2',1']imidazo[5',4'-<i>b</i>]pyridine
• Authors of publication: Ghacham, Hend Bel; Rodi, Youssef Kandri; Capet, Frédéric; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1079
• a: 20.2738 ± 0.0003 Å
• b: 13.2786 ± 0.0002 Å
• c: 7.3169 ± 0.0001 Å
• α: 90°
• β: 102.193 ± 0.001°
• γ: 90°
• Cell volume: 1925.33 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes