Information card for entry 2020069

Structure parameters

• Chemical name: 3-Anilino-2-phenyl-5-[(thiophen-2-yl)methylidene]-3,5-dihydro-4<i>H</i>-imidazol-4-one
• Formula: C20 H15 N3 O S
• Calculated formula: C20 H15 N3 O S
• Title of publication: Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly
• Authors of publication: Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• a: 8.846 ± 0.0002 Å
• b: 9.9951 ± 0.0002 Å
• c: 11.2435 ± 0.0002 Å
• α: 114.481 ± 0.001°
• β: 98.564 ± 0.001°
• γ: 105.891 ± 0.001°
• Cell volume: 830.15 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes