Information card for entry 1546485

Structure parameters

• Common name: 7H Benzamide + 3-Fluorobenzoic Acid
• Formula: C14 H12 F N O3
• Calculated formula: C14 H12 F N O3
• SMILES: c1c(cccc1C(=O)O)F.c1ccccc1C(=O)N
• Title of publication: Will they co-crystallize?
• Authors of publication: Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 36
• Pages of publication: 5336 - 5340
• a: 5.222 ± 0.004 Å
• b: 8.817 ± 0.007 Å
• c: 14.578 ± 0.011 Å
• α: 101.606 ± 0.018°
• β: 94.434 ± 0.016°
• γ: 94.826 ± 0.018°
• Cell volume: 652.1 ± 0.9 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.182
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.2046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No