Information card for entry 2209336

Structure parameters

• Chemical name: N-(2-Bromothiazol-5-ylmethyl-phthalimide
• Formula: C12 H7 Br N2 O2 S
• Calculated formula: C12 H7 Br N2 O2 S
• SMILES: s1c(CN2C(=O)c3ccccc3C2=O)cnc1Br
• Title of publication: <i>N</i>-(2-Bromothiazol-5-ylmethyl)phthalimide
• Authors of publication: Li, Jiang-Tao; Wang, Jing-Kang; Zhou, Li-Na
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2327 - o2328
• a: 7.3539 ± 0.0015 Å
• b: 8.6315 ± 0.0017 Å
• c: 9.794 ± 0.002 Å
• α: 108.16 ± 0.03°
• β: 93.79 ± 0.03°
• γ: 96.41 ± 0.03°
• Cell volume: 583.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes