Information card for entry 7247327

Structure parameters

• Formula: C34 H32 F3 N9 O4 S
• Calculated formula: C34 H32 F3 N9 O4 S
• SMILES: S(=O)(=O)(c1cc(Nc2[nH+]ccc(n2)N(c2cc3nn(c(C)c3cc2)C)C)ccc1C)N.FC(F)(F)c1cc(Nc2ncccc2C(=O)[O-])ccc1
• 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: 9.3626 ± 0.0003 Å
• b: 18.0718 ± 0.0008 Å
• c: 19.7247 ± 0.0009 Å
• α: 90°
• β: 94.683 ± 0.001°
• γ: 90°
• Cell volume: 3326.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No