Information card for entry 2239888

Structure parameters

• Chemical name: 1-Methyl-2-[(<i>E</i>)-2-(2-methoxphenyl)ethenyl]-4-nitro-1<i>H</i>-imidazole
• Formula: C13 H13 N3 O3
• Calculated formula: C13 H13 N3 O3
• SMILES: O=N(=O)c1nc(n(C)c1)/C=C/c1c(OC)cccc1
• Title of publication: Crystal structure of (<i>E</i>)-1-methyl-2-[2-(2-methoxphenyl)ethenyl]-4-nitro-1<i>H</i>-imidazole
• Authors of publication: Alliouche, Hayette; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o966 - o967
• a: 7.9339 ± 0.0018 Å
• b: 8.1994 ± 0.0019 Å
• c: 10.452 ± 0.003 Å
• α: 68.877 ± 0.017°
• β: 75.037 ± 0.017°
• γ: 76.182 ± 0.017°
• Cell volume: 604.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1151
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2476
• Weighted residual factors for all reflections included in the refinement: 0.2819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes