Information card for entry 4115622

Structure parameters

• Chemical name: 1,5-dimethyl-3-(2-pyridyl)-6-oxoverdazyl: hydroquionone, 1:1 cocrystal
• Formula: C15 H16 N5 O3
• Calculated formula: C15 H16 N5 O3
• Title of publication: Strong Supramolecular-Based Magnetic Exchange in π-Stacked Radicals. Structure and Magnetism of a Hydrogen-Bonded Verdazyl Radical: Hydroquinone Molecular Solid
• Authors of publication: Robin G. Hicks; Martin T. Lemaire; Lars Öhrström; John F. Richardson; Laurence K. Thompson; Zhiqiang Xu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 7154 - 7159
• a: 6.82 ± 0.002 Å
• b: 10.45 ± 0.004 Å
• c: 10.738 ± 0.003 Å
• α: 85.93 ± 0.01°
• β: 80.161 ± 0.02°
• γ: 87.029 ± 0.02°
• Cell volume: 751.5 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No