Information card for entry 7248590

Structure parameters

• Chemical name: 1-(benzo[d]thiazol-2-yl)piperidine-2,6-dione
• Formula: C12 H10 N2 O2 S
• Calculated formula: C12 H10 N2 O2 S
• SMILES: s1c(N2C(=O)CCCC2=O)nc2c1cccc2
• 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: 10.7717 ± 0.0009 Å
• b: 9.2453 ± 0.0009 Å
• c: 23.0901 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2299.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0853
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.2051
• Weighted residual factors for all reflections included in the refinement: 0.2256
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No