Information card for entry 1551708

Structure parameters

• Common name: Trimetazidine monohydrochloride
• Chemical name: 1-(2,3,4-trimethoxybenzyl)piperazine monohydrochloride
• Formula: C14 H23 Cl N2 O3
• Calculated formula: C14 H23 Cl N2 O3
• SMILES: [Cl-].O(c1c(OC)c(OC)c(CN2CC[NH2+]CC2)cc1)C
• Title of publication: Crystal Structure of 1-(2,3,4-Trimethoxybenzyl)piperazine monohydrochloride
• Authors of publication: STEPANOVS, Dmitrijs; MISHNEV, Anatoly
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2012
• Journal volume: 28
• Pages of publication: 5
• a: 21.548 ± 0.001 Å
• b: 7.6273 ± 0.0003 Å
• c: 9.5982 ± 0.0005 Å
• α: 90°
• β: 100.651 ± 0.002°
• γ: 90°
• Cell volume: 1550.32 ± 0.12 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 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: 0.1711
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No