Information card for entry 8106487

Structure parameters

• Common name: 4-chloro-3,5-dinitroaniline
• Chemical name: 4-chloro-3,5-dinitroaniline
• Formula: C6 H4 Cl N3 O4
• Calculated formula: C6 H4 Cl N3 O4
• Title of publication: The crystal structure of 4-chloro-3,5-dinitroaniline, C6H4ClN3O4
• Authors of publication: Jianlong, Wang; Tianbei, Zhang; Lizhen, Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 2
• Pages of publication: 215 - 216
• a: 14.1945 ± 0.0007 Å
• b: 8.1107 ± 0.0003 Å
• c: 15.3834 ± 0.0006 Å
• α: 90°
• β: 115.472 ± 0.006°
• γ: 90°
• Cell volume: 1598.9 ± 0.14 ų
• Cell temperature: 105.6 K
• Ambient diffraction temperature: 105.6 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No