Information card for entry 7223130

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: 7.808 ± 0.002 Å
• b: 23.582 ± 0.007 Å
• c: 7.432 ± 0.002 Å
• α: 90°
• β: 111.81 ± 0.02°
• γ: 90°
• Cell volume: 1270.5 ± 0.6 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 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: 0.0884
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for significantly intense reflections: 2.99
• Goodness-of-fit parameter for all reflections included in the refinement: 2.81
• Diffraction radiation probe: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No