Information card for entry 7248984

Structure parameters

• Chemical name: 1-(1-hydroxy-4-methyl-2-(4-nitrophenyl)-4,5-dihydro-1H-imidazol-5-yl)ethan-1-one
• Formula: C12 H11 N3 O4
• Calculated formula: C12 H11 N3 O4
• Title of publication: 2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus.
• Authors of publication: Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A.
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2024
• a: 6.2902 ± 0.0006 Å
• b: 7.3546 ± 0.0007 Å
• c: 12.9978 ± 0.0011 Å
• α: 85.35 ± 0.007°
• β: 88.976 ± 0.007°
• γ: 83.526 ± 0.007°
• Cell volume: 595.48 ± 0.1 ų
• Cell temperature: 295 ± 4 K
• Ambient diffraction temperature: 295 ± 4 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: 0.0721
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No