Information card for entry 2311959

Structure parameters

• Common name: Oxyclozanide xylene hemisolvate
• Chemical name: 2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide xylene hemisolvate
• Formula: C17 H11 Cl5 N O3
• Calculated formula: C17 H11 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: 7.12429 ± 0.00008 Å
• b: 9.40484 ± 0.00011 Å
• c: 14.27988 ± 0.00016 Å
• α: 83.7014 ± 0.0005°
• β: 80.0916 ± 0.0005°
• γ: 67.8388 ± 0.0004°
• Cell volume: 871.84 ± 0.017 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: 0.0414
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No