Information card for entry 7243668

Structure parameters

• Formula: C25 H31 N7 O3 S
• Calculated formula: C25 H31 N7 O3 S
• SMILES: S(=O)(=O)(c1cc(Nc2nc(N(c3cc4nn(c(C)c4cc3)C)C)ccn2)ccc1C)N.O1CCCC1
• 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: 11.358 ± 0.004 Å
• b: 14.023 ± 0.006 Å
• c: 16.34 ± 0.006 Å
• α: 105.473 ± 0.011°
• β: 91.683 ± 0.011°
• γ: 97.049 ± 0.016°
• Cell volume: 2484 ± 1.7 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: 0.048
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No