Information card for entry 2210306

Structure parameters

• Chemical name: 3-(2-chloroethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin- 1-ium chloride
• Formula: C11 H16 Cl2 N2 O
• Calculated formula: C11 H16 Cl2 N2 O
• Title of publication: 3-(2-Chloroethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-1-ium chloride
• Authors of publication: Krishnan Ravikumar; Balasubramanian Sridhar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3730 - o3731
• a: 6.609 ± 0.005 Å
• b: 10.34 ± 0.008 Å
• c: 18.473 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1262.4 ± 1.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes