Information card for entry 2236394

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-2-(2-methyl-4-nitro-1<i>H</i>- imidazol-1-yl)acetohydrazide
• Formula: C14 H15 N5 O4
• Calculated formula: C14 H15 N5 O4
• SMILES: O(C)c1ccc(cc1)/C=N/NC(=O)Cn1cc(nc1C)N(=O)=O
• Title of publication: (<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetohydrazide
• Authors of publication: Fun, Hoong-Kun; Chia, Tze Shyang; Frank, Priya V.; Poojary, Mahesha; Kalluraya, Balakrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2988 - o2989
• a: 4.3366 ± 0.0001 Å
• b: 12.9773 ± 0.0003 Å
• c: 13.2138 ± 0.0003 Å
• α: 84.919 ± 0.002°
• β: 87.353 ± 0.002°
• γ: 84.611 ± 0.001°
• Cell volume: 736.9 ± 0.03 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.076
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes