Information card for entry 8106336

Structure parameters

• Formula: C10 H13 Cl N2 O4
• Calculated formula: C10 H13 Cl N2 O4
• Title of publication: Crystal structure of 4-(dimethylamino)-1-(prop-2-yn-1-yl)pyridin-1-ium perchlorate, C10H13ClN2O4
• Authors of publication: Messali, Mouslim; Aouad, Mohamed Reda; Rezki, Nadjet; Almutairi, M. Saud; Warad, Ismail
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 897 - 898
• a: 14.903 ± 0.002 Å
• b: 9.1004 ± 0.0015 Å
• c: 8.756 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1187.5 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No