Information card for entry 7243665

Structure parameters

• Formula: C28 H29 N7 O6 S
• Calculated formula: C28 H29 N7 O6 S
• SMILES: S(=O)(=O)(N)c1c(ccc(Nc2nc(N(c3cc4nn(c(C)c4cc3)C)C)cc[nH+]2)c1)C.O=C([O-])c1c(O)c(O)ccc1
• Title of publication: Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids
• Authors of publication: Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 35
• Pages of publication: 5994 - 6011
• a: 8.687 ± 0.0014 Å
• b: 10.446 ± 0.002 Å
• c: 16.411 ± 0.003 Å
• α: 77.708 ± 0.009°
• β: 77.031 ± 0.008°
• γ: 74.897 ± 0.009°
• Cell volume: 1382.1 ± 0.4 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: 0.0368
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No