Information card for entry 7206916

Structure parameters

• Common name: 3-bromo-N-(3-fluorophenyl)benzamide
• Chemical name: 3-bromo-N-(3-fluorophenyl)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: 4.3711 ± 0.0004 Å
• b: 5.1917 ± 0.0005 Å
• c: 50.481 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1145.59 ± 0.19 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No