Information card for entry 7230207

Structure parameters

• Common name: Metoclopramide HCl Monohydrate
• Chemical name: 4-Amino-5-chloro-N-((2-diethylamino)-ethyl)-2-methoxybenzamide hydrochloride monohydrate
• Formula: C14 H25 Cl2 N3 O3
• Calculated formula: C14 H25 Cl2 N3 O3
• Title of publication: Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation
• Authors of publication: Nugraha, Yuda Prasetya; Uekusa, Hidehiro
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 19
• Pages of publication: 2653
• a: 12.1124 ± 0.0017 Å
• b: 8.5524 ± 0.0012 Å
• c: 16.849 ± 0.003 Å
• α: 90°
• β: 98.605 ± 0.007°
• γ: 90°
• Cell volume: 1725.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0394
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No