Information card for entry 2003241

Structure parameters

• Chemical name: 2-chloro-6-dimethylamino-3,5-diformylpyridine
• Formula: C9 H9 Cl N2 O2
• Calculated formula: C9 H9 Cl N2 O2
• SMILES: O=Cc1cc(C=O)c(nc1N(C)C)Cl
• Title of publication: 2-Chloro-6-dimethylamino-3,5-pyridine-dicarbaldehyde
• Authors of publication: Lai, L.-L.; Liu, L.-K.; Shiao, M.-J.; Wen, Y.-S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 517 - 519
• a: 7.162 ± 0.001 Å
• b: 7.417 ± 0.001 Å
• c: 9.469 ± 0.002 Å
• α: 69.27 ± 0.02°
• β: 93.79 ± 0.02°
• γ: 92.41 ± 0.02°
• Cell volume: 469.31 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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 all reflections: 0.036
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.95
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No