Information card for entry 7243661

Structure parameters

• Formula: C30 H35 N7 O7 S
• Calculated formula: C30 H35 N7 O7 S
• SMILES: S(=O)(=O)(N)c1c(ccc(Nc2nc(N(c3cc4nn(C)c(c4cc3)C)C)cc[nH+]2)c1)C.O=C([O-])c1ccc(O)cc1O.OCC
• 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: 8.6083 ± 0.0006 Å
• b: 21.2446 ± 0.0019 Å
• c: 33.276 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6085.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No