Information card for entry 7064116

Structure parameters

• Chemical name: 4-Acetyl-1,5-dimethyl-2-((E)-2-(4-nitrophenyl)ethenyl)-1H-imidazole
• Formula: C14 H17 N3 O4
• Calculated formula: C14 H17 N3 O4
• Title of publication: Synthesis, structure investigation and evaluation of anti-orthopoxvirus activities of 2-(2-arylethenyl)imidazoles
• Authors of publication: Golfarb-Abramov, Vladislav O.; Kazennova, Anastasia V.; Basanova, Elizaveta I.; Serova, Olga A.; Bormotov, Nikolai I.; Shishkina, Larisa N.; Krasnov, Vyacheslav I.; Polovyanenko, Dmitriy N.; Moskalev, Ivan A.; Fedorov, Alexey Yu.; Arkhipov, Sergey G.; Ilyina, Margarita G.; Borisevich, Sophia S.; Yarovaya, Olga I.; Nikitina, Polina A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 19699 - 19717
• a: 12.9411 ± 0.0008 Å
• b: 8.0804 ± 0.0006 Å
• c: 14.275 ± 0.0011 Å
• α: 90°
• β: 105.129 ± 0.008°
• γ: 90°
• Cell volume: 1440.99 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No