Information card for entry 2217679

Structure parameters

• Chemical name: Diisopropylammonium 3,5,6-trichloropyridin-2-olate
• Formula: C11 H17 Cl3 N2 O
• Calculated formula: C11 H17 Cl3 N2 O
• SMILES: Clc1cc(Cl)c(nc1[O-])Cl.[NH2+](C(C)C)C(C)C
• Title of publication: Diisopropylammonium 3,5,6-trichloropyridin-2-olate
• Authors of publication: Zhi Yan Hu; Hui Zheng; Dan Qian Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o537 - o538
• a: 8.087 ± 0.003 Å
• b: 11.066 ± 0.003 Å
• c: 16.389 ± 0.005 Å
• α: 90°
• β: 94.54 ± 0.015°
• γ: 90°
• Cell volume: 1462.1 ± 0.8 ų
• Cell temperature: 298 ± 1 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 significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes