Information card for entry 7208893

Structure parameters

• Formula: C6 H10 N2 O4
• Calculated formula: C6 H10 N2 O4
• SMILES: C1=C([O-])C(=O)C=C([O-])C1=O.[NH4+].[NH4+]
• Title of publication: Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization
• Authors of publication: Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 135
• a: 8.2507 ± 0.0009 Å
• b: 12.4085 ± 0.0013 Å
• c: 7.0259 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 719.3 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No