Information card for entry 7248586

Structure parameters

• Formula: C8 H8 N2 O2 S
• Calculated formula: C8 H8 N2 O2 S
• SMILES: s1c(N2C(=O)CCCC2=O)ncc1
• Title of publication: A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties
• Authors of publication: Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 3069 - 3076
• a: 22.635 ± 0.004 Å
• b: 18.2458 ± 0.0018 Å
• c: 8.4549 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3491.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No