Information card for entry 7251252

Structure parameters

• Formula: C19 H21 Cl N4 O5
• Calculated formula: C19 H21 Cl N4 O5
• 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: 8.6158 ± 0.0005 Å
• b: 10.2919 ± 0.0005 Å
• c: 11.9567 ± 0.0007 Å
• α: 70.718 ± 0.005°
• β: 78.374 ± 0.005°
• γ: 80.575 ± 0.004°
• Cell volume: 974.8 ± 0.1 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: 0.0412
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No