Information card for entry 7206914

Structure parameters

• Common name: 3-fluoro-N-(4-bromophenyl) benzamide
• Chemical name: 3-fluoro-N-(4-bromophenyl) 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: 26.081 ± 0.003 Å
• b: 5.2349 ± 0.0007 Å
• c: 17.549 ± 0.002 Å
• α: 90°
• β: 103.716 ± 0.002°
• γ: 90°
• Cell volume: 2327.7 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No