Information card for entry 7064114

Structure parameters

• Chemical name: 3-Hydroxy-6,6-dimethyl-2-((E)-2-(4-nitrophenyl)ethenyl)-3,5,6,7-tetrahydro-4H-benzimidazol-4-one
• Formula: C20 H24 N4 O5
• Calculated formula: C20 H24 N4 O5
• 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: 7.4075 ± 0.0005 Å
• b: 13.1203 ± 0.0011 Å
• c: 21.0062 ± 0.0015 Å
• α: 90°
• β: 92.715 ± 0.006°
• γ: 90°
• Cell volume: 2039.3 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No