Information card for entry 2242719

Structure parameters

• Common name: Chloranilic acid–hydantoin (1/2)
• Chemical name: 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone–imidazolidine-2,4-dione (1/2)
• Formula: C12 H10 Cl2 N4 O8
• Calculated formula: C12 H10 Cl2 N4 O8
• SMILES: ClC1=C(O)C(=O)C(=C(O)C1=O)Cl.O=C1NCC(=O)N1.O=C1NCC(=O)N1
• Title of publication: Crystal structures of two hydrogen-bonded compounds of chloranilic acid–ethyleneurea (1/1) and chloranilic acid–hydantoin (1/2)
• Authors of publication: Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• Pages of publication: 1727 - 1730
• a: 19.569 ± 0.0008 Å
• b: 5.18661 ± 0.0001 Å
• c: 16.6103 ± 0.0003 Å
• α: 90°
• β: 117.965 ± 0.003°
• γ: 90°
• Cell volume: 1489.04 ± 0.08 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes