Information card for entry 7206918

Structure parameters

• Common name: 3-fluoro-N-(4-chlorophenyl)benzamide
• Chemical name: 3-fluoro-N-(4-chlorophenyl)benzamide
• Formula: C13 H9 Cl F N O
• Calculated formula: C13 H9 Cl 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: 25.6859 ± 0.0006 Å
• b: 5.2425 ± 0.0001 Å
• c: 17.3988 ± 0.0004 Å
• α: 90°
• β: 104.252 ± 0.001°
• γ: 90°
• Cell volume: 2270.78 ± 0.09 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: 0.0593
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No