Information card for entry 2214334

Structure parameters

• Chemical name: (1E)-5-Amino-1,5-bis[4-(methylsulfanyl)phenyl]pent-1-en-3-one
• Formula: C19 H21 N O S2
• Calculated formula: C19 H21 N O S2
• Title of publication: (1<i>E</i>)-5-Amino-1,5-bis[4-(methylsulfanyl)phenyl]pent-1-en-3-one
• Authors of publication: Harrison, William T. A.; Sarojini, B. K.; Bindya, S.; Narayana, B.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3142 - o3142
• a: 16.705 ± 0.003 Å
• b: 5.5968 ± 0.001 Å
• c: 37.73 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3527.5 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes