Information card for entry 7206920

Structure parameters

• Common name: 2-iodo-N-(3-fluorophenyl)benzamide
• Chemical name: 2-iodo-N-(3-fluorophenyl)benzamide
• Formula: C13 H9 F I N O
• Calculated formula: C13 H9 F I 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: 5.1012 ± 0.0003 Å
• b: 11.0188 ± 0.0007 Å
• c: 12.441 ± 0.0008 Å
• α: 64.411 ± 0.003°
• β: 79.243 ± 0.003°
• γ: 87.18 ± 0.003°
• Cell volume: 619.23 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0295
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No