Information card for entry 2008503

Structure parameters

• Formula: C13 H12 Cl N3 O2
• Calculated formula: C13 H12 Cl N3 O2
• SMILES: ClCc1ccc(cc1)/C=C/c1n(c(N(=O)=O)cn1)C
• Title of publication: (<i>E</i>)-2-[2-(4-Chloromethylphenyl)vinyl]-1-methyl-5-nitro-1<i>H</i>-imidazole
• Authors of publication: Benakli, K.; Crozet, M. P.; Vanelle, P.; Giorgi, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: IUC9900041
• a: 20.62 ± 0.006 Å
• b: 13.147 ± 0.004 Å
• c: 9.601 ± 0.005 Å
• α: 90°
• β: 101.14 ± 0.03°
• γ: 90°
• Cell volume: 2553.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No