Information card for entry 7205320

Structure parameters

• Common name: mesitylene solvate of 2-chloro-4-nitrobenzoic acid
• Chemical name: mesitylene solvate of 2-chloro-4-nitrobenzoic acid
• Formula: C23 H20 Cl2 N2 O8
• Calculated formula: C23 H20 Cl2 N2 O8
• Title of publication: Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid
• Authors of publication: Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 1037
• a: 23.088 ± 0.005 Å
• b: 12.018 ± 0.002 Å
• c: 8.9206 ± 0.0018 Å
• α: 90°
• β: 110.29 ± 0.03°
• γ: 90°
• Cell volume: 2321.6 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No