Information card for entry 8104757

Structure parameters

• Common name: 3,4-dichlorobenzoic acid chloride
• Chemical name: 3,4-dichlorobenzoic acid chloride
• Formula: C7 H3 Cl3 O
• Calculated formula: C7 H3 Cl3 O
• Title of publication: The crystal structure of 3,4-dichlorobenzoic acid chloride, C7H3Cl3O
• Authors of publication: Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 531 - 532
• a: 12.0518 ± 0.0015 Å
• b: 9.7403 ± 0.0011 Å
• c: 6.9562 ± 0.0009 Å
• α: 90°
• β: 99.047 ± 0.004°
• γ: 90°
• Cell volume: 806.42 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No