Information card for entry 7247328

Structure parameters

• Formula: C37 H36 F3 N9 O4 S
• Calculated formula: C37 H36 F3 N9 O4 S
• SMILES: S(=O)(=O)(N)c1c(ccc(Nc2nc(N(c3cc4nn(c(c4cc3)C)C)C)cc[nH+]2)c1)C.FC(F)(F)c1cc(Nc2ccccc2C(=O)[O-])ccc1.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: 10.125 ± 0.011 Å
• b: 18.32 ± 0.02 Å
• c: 20.77 ± 0.02 Å
• α: 68.4 ± 0.04°
• β: 89.7 ± 0.04°
• γ: 81.04 ± 0.04°
• Cell volume: 3533 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1159
• Residual factor for significantly intense reflections: 0.1099
• Weighted residual factors for significantly intense reflections: 0.324
• Weighted residual factors for all reflections included in the refinement: 0.3363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.568
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No