Information card for entry 7203489

Structure parameters

• Formula: C26 H36 N2 O6
• Calculated formula: C26 H36 N2 O6
• Title of publication: Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure
• Authors of publication: Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 545
• a: 36.856 ± 0.002 Å
• b: 5.1674 ± 0.0002 Å
• c: 29.4327 ± 0.0018 Å
• α: 90°
• β: 112.806 ± 0.002°
• γ: 90°
• Cell volume: 5167.2 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.1736
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No