Information card for entry 2108445

Structure parameters

• Common name: clofaziminium 2,4-dihydroxybenzoate methanol solvate
• Chemical name: N-[10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino] -2,10-dihydrophenazin-2-ylidene]propan-2-aminium methanol 2,4-dihydroxybenzoate
• Formula: C35 H32 Cl2 N4 O5
• Calculated formula: C35 H32 Cl2 N4 O5
• Title of publication: Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
• Authors of publication: Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 4
• a: 9.4861 ± 0.0004 Å
• b: 12.5322 ± 0.0005 Å
• c: 15.3641 ± 0.0005 Å
• α: 98.415 ± 0.003°
• β: 103.379 ± 0.003°
• γ: 110.45 ± 0.004°
• Cell volume: 1612.41 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes