Information card for entry 2021518

Structure parameters

• Common name: (<i>E</i>)-2-Benzoylpyridine-4-nitroimidazole hydrazone
• Chemical name: (<i>E</i>)-2-(2-Nitro-1<i>H</i>-imidazol-1-yl)-<i>N</i>'-[(phenyl)(pyridin-2-yl)methylidene]acetohydrazide
• Formula: C17 H14 N6 O3
• Calculated formula: C17 H14 N6 O3
• SMILES: n1c(cccc1)C(=N\NC(=O)Cn1cnc(c1)N(=O)=O)\c1ccccc1
• Title of publication: Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones
• Authors of publication: Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 3
• a: 5.8656 ± 0.0004 Å
• b: 10.3304 ± 0.0012 Å
• c: 13.7224 ± 0.0016 Å
• α: 74.736 ± 0.01°
• β: 88.725 ± 0.008°
• γ: 87.006 ± 0.008°
• Cell volume: 801.04 ± 0.15 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 ± 2 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: 0.1032
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes