Information card for entry 2208304

Structure parameters

• Common name: imidazoacethydrazone
• Chemical name: 4-Methylacetophenone [(2-methyl-4-nitro-1H-imidazol-1-yl)acetyl]hydrazone
• Formula: C15 H17 N5 O3
• Calculated formula: C15 H17 N5 O3
• SMILES: O=C(N\N=C(/C)c1ccc(cc1)C)Cn1c(nc(N(=O)=O)c1)C
• Title of publication: 4-Methylacetophenone [(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetyl]hydrazone
• Authors of publication: S. Balamurugan; A. Thiruvalluvar; Balakrishna Kalluraya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1126 - o1128
• a: 8.423 ± 0.002 Å
• b: 10.577 ± 0.004 Å
• c: 17.97 ± 0.03 Å
• α: 90°
• β: 89.46 ± 0.08°
• γ: 90°
• Cell volume: 1601 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.2543
• Weighted residual factors for all reflections included in the refinement: 0.256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No