Information card for entry 2223270

Structure parameters

• Chemical name: 1-Benzyl-3,5-bis(2-thienylmethylene)-4-piperidone
• Formula: C22 H19 N O S2
• Calculated formula: C22 H19 N O S2
• SMILES: O=C1/C(=C/c2cccs2)CN(C/C1=C\c1cccs1)Cc1ccccc1
• Title of publication: 1-Benzyl-3,5-bis(2-thienylmethylene)-4-piperidone
• Authors of publication: Sun, Ju-feng; Li, Hong-juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2310
• a: 5.711 ± 0.0011 Å
• b: 9.4072 ± 0.0019 Å
• c: 17.338 ± 0.004 Å
• α: 87.82 ± 0.03°
• β: 87.55 ± 0.03°
• γ: 81.99 ± 0.03°
• Cell volume: 921.1 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes