Information card for entry 2242503

Structure parameters

• Common name: meldonium sodium bromide heptahydrate
• Chemical name: Poly[[tetra-μ-aqua-diaquabis[3-(1,1,1-trimethylhydrazin-1-ium-2-yl)\ propanoate]disodium] dibromide tetrahydrate]
• Formula: C6 H24 Br N2 Na O7
• Calculated formula: C6 H24 Br N2 Na O7
• SMILES: [Br-].[Na+].O=C([O-])CCN[N+](C)(C)C.O.O.O.O.O
• Title of publication: Crystal structures of binary compounds of meldonium 3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propanoate with sodium bromide and sodium iodide
• Authors of publication: Nazarenko, Alexander Y.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 829 - 834
• a: 16.5181 ± 0.0008 Å
• b: 5.5262 ± 0.0003 Å
• c: 33.2605 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3036.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes