Information card for entry 2243402

Structure parameters

• Common name: Gefitinib‒azelaic acid (1/1)
• Chemical name: Quinazolin-4-amine‒nonanedioic acid (1/1)
• Formula: C31 H40 Cl F N4 O7
• Calculated formula: C31 H40 Cl F N4 O7
• Title of publication: Crystal structure of a 1:1 co-crystal of the anticancer drug gefitinib with azelaic acid
• Authors of publication: George, Christy P.; Sangtani, Ekta; Gonnade, Rajesh G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 884 - 888
• a: 10.7716 ± 0.001 Å
• b: 7.4153 ± 0.0013 Å
• c: 38.175 ± 0.007 Å
• α: 90°
• β: 92.311 ± 0.005°
• γ: 90°
• Cell volume: 3046.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes