Information card for entry 2006962

Structure parameters

• Formula: C15 H9 Br2 Cl N2 O2 S
• Calculated formula: C15 H9 Br2 Cl N2 O2 S
• Title of publication: <i>erythro</i>-1-(Benzothiazol-2-yl)-1,2-dibromo-2-(2-chloro-5-nitrophenyl)ethane
• Authors of publication: Alarcòn, Riquelio; Cox, Osvaldo; Rivera, Luis A.; Huang, Songping D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 68 - 69
• a: 10.557 ± 0.004 Å
• b: 14.518 ± 0.005 Å
• c: 11.094 ± 0.003 Å
• α: 90°
• β: 104.51 ± 0.02°
• γ: 90°
• Cell volume: 1646.1 ± 1 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 1.905
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No