Information card for entry 2022774

Structure parameters

• Chemical name: 5-Oxo-7-phenyl-2-(phenylamino)-1<i>H</i>-[1,2,4]triazolo[1,5-<i>a</i>]pyridine-6,8-dicarbonitrile dimethyl sulfoxide monosolvate
• Formula: C22 H18 N6 O2 S
• Calculated formula: C22 H18 N6 O2 S
• Title of publication: Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl-amino)-1<i>H</i>-[1,2,4]triazolo[1,5-<i>a</i>]pyridine-6,8-dicarbo-nitrile dimethyl sulfoxide monosolvate.
• Authors of publication: Naghiyev, Farid N.; Khrustalev, Victor N.; Mamedov, Huseyn M.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 6
• Pages of publication: 567 - 570
• a: 9.87885 ± 0.00012 Å
• b: 10.46018 ± 0.00013 Å
• c: 11.48307 ± 0.00012 Å
• α: 100.93 ± 0.001°
• β: 105.305 ± 0.0011°
• γ: 112.679 ± 0.0012°
• Cell volume: 997.81 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes