Information card for entry 7201550

Structure parameters

• Formula: C13 H10 F N O
• Calculated formula: C13 H10 F N O
• SMILES: N(c1ccc(F)cc1)C(=O)c1ccccc1
• Title of publication: Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides
• Authors of publication: Chopra, Deepak; Guru Row, T. N.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 54
• a: 5.3691 ± 0.001 Å
• b: 7.8623 ± 0.0015 Å
• c: 12.892 ± 0.002 Å
• α: 72.465 ± 0.003°
• β: 80.495 ± 0.003°
• γ: 89.707 ± 0.003°
• Cell volume: 511.23 ± 0.16 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No