Information card for entry 7100919

Structure parameters

• Formula: C9 H10 Br I O
• Calculated formula: C9 H10 Br I O
• SMILES: I1(Br)OC(c2c1cccc2)(C)C
• Title of publication: Bromoiodinanes with an I(III)-Br bond: preparation, X-ray crystallography and reactivity as electrophilic brominating agents
• Authors of publication: C.Braddock; Gemma Cansell; Stephen Hermitage; Andrew J. P. White
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 8.115 ± 0.002 Å
• b: 8.2108 ± 0.0017 Å
• c: 9.1784 ± 0.0019 Å
• α: 106.812 ± 0.012°
• β: 91.202 ± 0.018°
• γ: 114 ± 0.02°
• Cell volume: 528.1 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No