Information card for entry 2311960

Structure parameters

• Common name: Oxyclozanide toluene hemisolvate
• Chemical name: 2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide toluene hemisolvate
• Formula: C16.5 H10 Cl5 N O3
• Calculated formula: C16.5 H10 Cl5 N O3
• Title of publication: Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.
• Authors of publication: Sridhar, Balasubramanian; Ravikumar, Krishnan
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1056 - 1063
• a: 6.92017 ± 0.00008 Å
• b: 9.71946 ± 0.00011 Å
• c: 13.98498 ± 0.00017 Å
• α: 86.3845 ± 0.0005°
• β: 85.4687 ± 0.0005°
• γ: 65.8069 ± 0.0005°
• Cell volume: 854.849 ± 0.018 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No