Information card for entry 7247963

Structure parameters

• Common name: Domperidone mandelate hydrate
• Chemical name: Domperidone mandelate hydrate
• Formula: C30 H36 Cl N5 O7.27
• Calculated formula: C30 H36 Cl N5 O7.268
• Title of publication: New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts
• Authors of publication: Nechipadappu, Sunil Kumar; Swain, Debasish
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 926 - 942
• a: 7.3045 ± 0.0002 Å
• b: 10.2362 ± 0.0002 Å
• c: 21.8241 ± 0.0005 Å
• α: 80.9935 ± 0.0007°
• β: 82.5939 ± 0.0007°
• γ: 79.5884 ± 0.0007°
• Cell volume: 1576.61 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1624
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No