Information card for entry 2006228

Structure parameters

• Formula: C15 H9 Br N2 O3 S
• Calculated formula: C15 H9 Br N2 O3 S
• Title of publication: 1-(1,3-Benzothiazol-2-yl)-2-(2-bromo-5-nitrophenyl)ethanone
• Authors of publication: Ruiwu, Tao; Barnes, Charles L.; Cox, Osvaldo; Hernàndez, Wigberto J.; Cardona, Damaris; Huang, Songping D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 801 - 803
• a: 5.6211 ± 0.0009 Å
• b: 7.356 ± 0.001 Å
• c: 18.144 ± 0.003 Å
• α: 98.956 ± 0.009°
• β: 97.03 ± 0.01°
• γ: 99.326 ± 0.009°
• Cell volume: 722.9 ± 0.2 ų
• Cell temperature: 295.2 K
• Ambient diffraction temperature: 295.2 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: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0375
• Goodness-of-fit parameter for significantly intense reflections: 1.766
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No