Information card for entry 7247964

Structure parameters

• Common name: Domperidone nicotinate hydrate
• Chemical name: Domperidone nicotinate hydrate
• Formula: C56 H66 Cl2 N12 O13
• Calculated formula: C56 H66 Cl2 N12 O13
• 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: 14.471 ± 0.005 Å
• b: 17.466 ± 0.006 Å
• c: 11.749 ± 0.004 Å
• α: 90°
• β: 92.939 ± 0.006°
• γ: 90°
• Cell volume: 2965.7 ± 1.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1473
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No