Information card for entry 1574149

Structure parameters

• Common name: BILASTINE HYDROCHLORIDE PHOSPHATE TRI HYDRATE
• Chemical name: BILASTINE HYDROCHLORIDE PHOSPHATE TRI HYDRATE
• Formula: C56 H84 Cl N6 O13 P
• Calculated formula: C56 H84 Cl N6 O13 P
• Title of publication: Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer
• Authors of publication: Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 2317 - 2332
• a: 12.5749 ± 0.0008 Å
• b: 14.8653 ± 0.0009 Å
• c: 16.1941 ± 0.001 Å
• α: 82.653 ± 0.002°
• β: 80.4795 ± 0.0019°
• γ: 76.8419 ± 0.0019°
• Cell volume: 2894.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0378
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No