Information card for entry 7223128

Structure parameters

• Formula: C12 H10 Cl2 N2 O3
• Calculated formula: C12 H10 Cl2 N2 O3
• Title of publication: Intermolecular OHN hydrogen bond with proton moving in 3-methylpyridinium 2,6-dichloro-4-nitrophenolate
• Authors of publication: Majerz, Irena; Gutmann, Matthias
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.78 ± 0.002 Å
• b: 23.541 ± 0.007 Å
• c: 7.405 ± 0.002 Å
• α: 90°
• β: 111.59 ± 0.02°
• γ: 90°
• Cell volume: 1261.1 ± 0.6 ų
• Cell temperature: 80 K
• Ambient diffraction temperature: 80 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 all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for significantly intense reflections: 2.76
• Goodness-of-fit parameter for all reflections included in the refinement: 2.63
• Diffraction radiation probe: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No