Information card for entry 7250631

Structure parameters

• Common name: Vandetanib Mefenamic acid
• Chemical name: 4-(((4-((4-bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)-1-methylpiperidin-1-ium 2-((2,3-dimethylphenyl)amino)benzoate
• Formula: C37 H39 Br F N5 O4
• Calculated formula: C37 H39 Br F N5 O4
• Title of publication: A current insight into the drug–drug molecular adducts of an anti-cancer drug vandetanib with various NSAIDs
• Authors of publication: Abishek, K. G.; Kenguva, Gowtham; Giri, Lopamudra; Venkat Shivaji Ramarao, E. V.; Dhilli Rao, Gorja; Dandela, Rambabu
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 2998 - 3005
• a: 12.7596 ± 0.001 Å
• b: 12.7738 ± 0.001 Å
• c: 13.177 ± 0.0011 Å
• α: 110.597 ± 0.002°
• β: 90.033 ± 0.002°
• γ: 118.704 ± 0.002°
• Cell volume: 1725.4 ± 0.2 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No