Information card for entry 7203486

Structure parameters

• Formula: C8 H7 Cl N O3
• Calculated formula: C8 H7 Cl N O3
• 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: 3.744 ± 0.001 Å
• b: 6.032 ± 0.001 Å
• c: 18.631 ± 0.002 Å
• α: 97.66 ± 0.01°
• β: 92.28 ± 0.01°
• γ: 90.47 ± 0.01°
• Cell volume: 416.64 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.1227
• Weighted residual factors for significantly intense reflections: 0.1047
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No