Information card for entry 2016506

Structure parameters

• Chemical name: 3,4,6-Trichloro-5-cyano-2-hydroxybenzamide
• Formula: C8 H3 Cl3 N2 O2
• Calculated formula: C8 H3 Cl3 N2 O2
• SMILES: Clc1c(O)c(c(Cl)c(c1Cl)C#N)C(=O)N
• Title of publication: 3,4,6-Trichloro-5-cyano-2-hydroxybenzamide
• Authors of publication: Britton, Doyle
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o109 - o110
• a: 6.302 ± 0.0006 Å
• b: 9.0437 ± 0.0008 Å
• c: 9.3822 ± 0.0009 Å
• α: 109.196 ± 0.001°
• β: 94.937 ± 0.001°
• γ: 104.076 ± 0.001°
• Cell volume: 481.72 ± 0.08 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 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: 0.023
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes