Information card for entry 7251250

Structure parameters

• Formula: C19 H19 Cl N4 O4
• Calculated formula: C19 H19 Cl N4 O4
• Title of publication: Novel pyrimethamine salts with isomeric dihydroxybenzoic acids: crystallization and characterization
• Authors of publication: Kedra, Karolina; Dąbrowa, Kajetan; Gajek, Arkadiusz; CEBORSKA, MAGDALENA
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 7.4735 ± 0.0005 Å
• b: 9.0284 ± 0.0005 Å
• c: 14.908 ± 0.001 Å
• α: 99.521 ± 0.005°
• β: 91.777 ± 0.005°
• γ: 107.572 ± 0.005°
• Cell volume: 942.24 ± 0.11 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: 0.0416
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No