Information card for entry 2242936

Structure parameters

• Chemical name: 4-[4-(1<i>H</i>-Benzo[<i>d</i>]imidazole-2-yl)phenoxy]phthalonitrile dimethyl sulfoxide monosolvate
• Formula: C23 H18 N4 O2 S
• Calculated formula: C23 H18 N4 O2 S
• Title of publication: Crystal structure and Hirshfeld surface analysis of 4-[4-(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)phenoxy]phthalonitrile dimethyl sulfoxide monosolvate
• Authors of publication: Demir Kanmazalp, Sibel; Şen, Pınar; Dege, Necmi; Yildiz, Salih Zeki; Ozdemir, Namık; Golenya, Irina A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 780 - 784
• a: 20.9154 ± 0.0011 Å
• b: 11.4208 ± 0.0006 Å
• c: 8.8938 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2124.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes