Information card for entry 7206915

Structure parameters

• Common name: 2-bromo-N-(3-fluoro)benzamide
• Chemical name: 2-bromo-N-(3-fluoro)benzamide
• Formula: C13 H9 Br F N O
• Calculated formula: C13 H9 Br F N O
• Title of publication: Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides
• Authors of publication: Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 200
• a: 5.0904 ± 0.0011 Å
• b: 10.696 ± 0.002 Å
• c: 12.054 ± 0.003 Å
• α: 113.637 ± 0.003°
• β: 97.827 ± 0.003°
• γ: 93.133 ± 0.003°
• Cell volume: 591.3 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No