Information card for entry 2223324

Structure parameters

• Chemical name: 3,5-Dinitrobenzoyl chloride
• Formula: C7 H3 Cl N2 O5
• Calculated formula: C7 H3 Cl N2 O5
• Title of publication: 3,5-Dinitrobenzoyl chloride
• Authors of publication: Wang, Hong-Yong; Xie, Min-Hao; Luo, Shi-Neng; Zou, Pei; Liu, Ya-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2460
• a: 18.295 ± 0.004 Å
• b: 8.3924 ± 0.0019 Å
• c: 5.7362 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 880.7 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes