Information card for entry 2208565

Structure parameters

• Chemical name: N-Ethylethanaminium 3,5,6-trichloropyridin-2-olate
• Formula: C9 H13 Cl3 N2 O
• Calculated formula: C9 H13 Cl3 N2 O
• SMILES: Clc1cc(Cl)c(nc1[O-])Cl.[NH2+](CC)CC
• Title of publication: <i>N</i>-Ethylethanaminium 3,5,6-trichloropyridin-2-olate
• Authors of publication: Hui Zheng; Yun-Kui Liu; Dan-Qian Xu; Zhen-Yuan Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1532 - o1533
• a: 7.527 ± 0.006 Å
• b: 9.196 ± 0.006 Å
• c: 10.978 ± 0.007 Å
• α: 106.36 ± 0.02°
• β: 105.32 ± 0.03°
• γ: 105.28 ± 0.03°
• Cell volume: 654.6 ± 0.8 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No