Information card for entry 1545548

Structure parameters

• Formula: C21 H23 Cl F N O2
• Calculated formula: C21 H23 Cl F N O2
• SMILES: c1(ccc(cc1)C1(CCN(CC1)CCCC(=O)c1ccc(cc1)F)O)Cl
• 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: 7.7503 ± 0.0003 Å
• b: 8.9174 ± 0.0004 Å
• c: 26.8821 ± 0.0011 Å
• α: 90°
• β: 90.435 ± 0.002°
• γ: 90°
• Cell volume: 1857.84 ± 0.13 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: 0.0422
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No