Information card for entry 7243659

Structure parameters

• Formula: C21 H23 N7 O2 S
• Calculated formula: C21 H23 N7 O2 S
• SMILES: S(=O)(=O)(N)c1cc(Nc2nc(N(c3cc4c(c(n(C)n4)C)cc3)C)ccn2)ccc1C
• 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: 7.3361 ± 0.0004 Å
• b: 11.8575 ± 0.0007 Å
• c: 12.8075 ± 0.0008 Å
• α: 70.641 ± 0.002°
• β: 78.588 ± 0.002°
• γ: 76.401 ± 0.002°
• Cell volume: 1012.86 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.95 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: 0.1237
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No