Information card for entry 2005664

Structure parameters

• Chemical name: 2-(2,5-dichlorophenylhydrazono)-glutaric acid
• Formula: C11 H10 Cl2 N2 O4
• Calculated formula: C11 H10 Cl2 N2 O4
• SMILES: c1c(Cl)ccc(Cl)c1N/N=C(\C(=O)O)CCC(=O)O
• Title of publication: 2-(2,5-Dichlorophenylhydrazono)glutaric Acid and 2-(3,5-Dichlorophenylhydrazono)glutaric Acid
• Authors of publication: Antolić, S.; Kojic-Prodic, B.; Cohen, J. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2832 - 2835
• a: 4.783 ± 0.001 Å
• b: 16.982 ± 0.006 Å
• c: 16.205 ± 0.006 Å
• α: 90°
• β: 96.82 ± 0.04°
• γ: 90°
• Cell volume: 1306.9 ± 0.7 ų
• Cell temperature: 295 ± 3 K
• Ambient diffraction temperature: 295 ± 3 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1658
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections: 0.1432
• Weighted residual factors for significantly intense reflections: 0.1241
• Goodness-of-fit parameter for all reflections: 0.835
• Goodness-of-fit parameter for significantly intense reflections: 1.125
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No