Information card for entry 7244533

Structure parameters

• Formula: C27 H26 N4 O5 S
• Calculated formula: C27 H26 N4 O5 S
• SMILES: S(c1c(C(=O)NC)cccc1)c1cc2[nH]nc(c2cc1)/C=C/c1ncccc1.OC(=O)CCCC(=O)O
• Title of publication: Two anhydrous forms and one monohydrate of a cocrystal of axitinib and glutaric acid: characterization, property evaluation and phase transition study
• Authors of publication: Ren, Bo-Ying; Dai, Xia-Lin; Chen, Jia-Mei; Lu, Tong-Bu
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 7.6975 ± 0.0002 Å
• b: 12.7075 ± 0.0003 Å
• c: 14.7757 ± 0.0004 Å
• α: 65.633 ± 0.003°
• β: 83.024 ± 0.002°
• γ: 77.802 ± 0.002°
• Cell volume: 1285.88 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0659
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No