Information card for entry 7019735

Structure parameters

• Formula: C8 H10 N4 O4
• Calculated formula: C8 H10 N4 O4
• SMILES: c1cnc(cn1)C(=O)N/N=C(/C(=O)O)C.O
• Title of publication: Synthesis, characterisation and antitubercular activities of a series of pyruvate-containing aroylhydrazones and their Cu-complexes.
• Authors of publication: Jamadar, Abeda; Duhme-Klair, Anne-K; Vemuri, Kiranmayi; Sritharan, Manjula; Dandawate, Prasad; Padhye, Subhash
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 30
• Pages of publication: 9192 - 9201
• a: 8.168 ± 0.0005 Å
• b: 8.2337 ± 0.0006 Å
• c: 8.5815 ± 0.0006 Å
• α: 109.642 ± 0.007°
• β: 99.708 ± 0.005°
• γ: 110.471 ± 0.006°
• Cell volume: 481.69 ± 0.07 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No