Information card for entry 4510487

Structure parameters

• Common name: Blonanserin-suberic acid cocrystal
• Chemical name: (2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-1,8-Octanedioic acid
• Formula: C27 H37 F N3 O2
• Calculated formula: C27 H37 F N3 O2
• Title of publication: High Solubility Crystalline Pharmaceutical Forms of Blonanserin
• Authors of publication: Maddileti, D.; Swapna, Battini; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2557
• a: 13.655 ± 0.012 Å
• b: 11.54 ± 0.01 Å
• c: 15.669 ± 0.014 Å
• α: 90°
• β: 103.515 ± 0.013°
• γ: 90°
• Cell volume: 2401 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0634
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No