Information card for entry 7064118

Structure parameters

• Chemical name: Ethyl 1-hydroxy-4-methyl-2-((E)-2-(4-nitrophenyl)ethenyl)-1H-imidazole-5-carboxylate
• Formula: C30 H29 N6 O10
• Calculated formula: C30 H29 N6 O10
• 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: 7.3738 ± 0.0005 Å
• b: 14.1463 ± 0.001 Å
• c: 15.4463 ± 0.001 Å
• α: 66.399 ± 0.006°
• β: 88.379 ± 0.005°
• γ: 86.836 ± 0.005°
• Cell volume: 1474.18 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1585
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2362
• Weighted residual factors for all reflections included in the refinement: 0.2942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No