Information card for entry 7241513

Structure parameters

• Chemical name: N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene]propan-2-aminium methanol 2-{2-[(2-chloro-6-methylphenyl)amino]phenyl}acetate
• Formula: C41.75 H35.98 Cl4 N5 O2.75
• Calculated formula: C41.745 H35.982 Cl4 N5 O2.745
• Title of publication: Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts
• Authors of publication: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 185 - 201
• a: 16.7209 ± 0.0003 Å
• b: 17.2504 ± 0.0005 Å
• c: 27.8319 ± 0.0007 Å
• α: 90°
• β: 93.438 ± 0.002°
• γ: 90°
• Cell volume: 8013.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No