Information card for entry 7240996

Structure parameters

• Chemical name: Gefitinib-mefenamic acid cocrystal
• Formula: C37 H41 Cl F N5 O6
• Calculated formula: C37 H41 Cl F N5 O6
• SMILES: Clc1cc(Nc2ncnc3cc(c(cc23)OCCCN2CCOCC2)OC)ccc1F.C(=O)(c1ccccc1Nc1cccc(c1C)C)O.O
• Title of publication: Drug-Drug Cocrystals of Anticancer Drugs Erlotinib-Furosemide and Gefitinib-Mefenamic acid for Alternative Multi-Drug Treatment
• Authors of publication: P. George, Christy; Thorat, Sridhar Hanamant; Shaligram, Parth S.; Suresha, P. R.; Gonnade, Rajesh G.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 10.9083 ± 0.0007 Å
• b: 7.6817 ± 0.0005 Å
• c: 41.588 ± 0.003 Å
• α: 90°
• β: 96.132 ± 0.004°
• γ: 90°
• Cell volume: 3464.9 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No