Information card for entry 7247326

Structure parameters

• Formula: C37 H36 F3 N9 O4 S
• Calculated formula: C37 H36 F3 N9 O4 S
• SMILES: S(=O)(=O)(c1cc(Nc2nc(N(c3ccc4c(c3)nn(c4C)C)C)cc[nH+]2)ccc1C)N.[O-]C(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F.N#CC
• Title of publication: Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration
• Authors of publication: Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 39
• Pages of publication: 5565 - 5574
• a: 11.0587 ± 0.0004 Å
• b: 11.8069 ± 0.0005 Å
• c: 14.601 ± 0.0006 Å
• α: 78.679 ± 0.001°
• β: 76.705 ± 0.001°
• γ: 77.663 ± 0.001°
• Cell volume: 1790.65 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No