Information card for entry 2234067

Structure parameters

• Chemical name: Diethyl 2,2'-bis(hydroxyimino)-3,3'-(hydrazinediylidene)dibutanoate
• Formula: C12 H18 N4 O6
• Calculated formula: C12 H18 N4 O6
• SMILES: CCOC(=O)C(=N\O)/C(=N/N=C(/C(=N/O)C(=O)OCC)C)C
• Title of publication: Diethyl 2,2'-bis(hydroxyimino)-3,3'-(hydrazinediylidene)dibutanoate
• Authors of publication: Li, Hui; Su, Peng-Fei; Tong, Jun-Feng; Wang, Bo-Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o842
• a: 10.8587 ± 0.0011 Å
• b: 8.3068 ± 0.0009 Å
• c: 8.8465 ± 0.0009 Å
• α: 90°
• β: 99.782 ± 0.002°
• γ: 90°
• Cell volume: 786.36 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes