Information card for entry 4505184

Structure parameters

• Formula: C6 H10 Cl2 N4 O4
• Calculated formula: C6 H10 Cl2 N4 O4
• SMILES: C1(Cl)=C([O-])C(=O)C(=C([O-])C1=O)Cl.N[NH3+].N[NH3+]
• Title of publication: Acid/Base versus Redox Reaction−The Case of Chloranilic Acid and Hydrazine: A Supramolecular Decision?
• Authors of publication: Kühl, Olaf; Goutal, Sigrid
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1875
• a: 7.707 ± 0.001 Å
• b: 4.869 ± 0.001 Å
• c: 13.3 ± 0.001 Å
• α: 90°
• β: 99.946 ± 0.01°
• γ: 90°
• Cell volume: 491.59 ± 0.13 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 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: 0.0263
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No