Information card for entry 1545675

Structure parameters

• Formula: C25 H27 Cl F N O6
• Calculated formula: C25 H27 Cl F N O6
• SMILES: c1(ccc(cc1)C1(CC[NH+](CC1)CCCC(=O)c1ccc(cc1)F)O)Cl.C(=O)(/C=C\C(=O)O)[O-]
• Title of publication: Continuous Preparation of 1:1 Haloperidol-Maleic Acid Salt by a Novel Solvent-Free Method Using a Twin Screw Melt Extruder.
• Authors of publication: Lee, Hung Lin; Vasoya, Jaydip M.; Cirqueira, Marilia de Lima; Yeh, Kuan Lin; Lee, Tu; Serajuddin, Abu T. M.
• Journal of publication: Molecular pharmaceutics
• Year of publication: 2017
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1278 - 1291
• a: 27.621 ± 0.009 Å
• b: 11.002 ± 0.003 Å
• c: 15.786 ± 0.005 Å
• α: 90°
• β: 102.12 ± 0.013°
• γ: 90°
• Cell volume: 4690 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No