Information card for entry 7222406

Structure parameters

• Chemical name: (2Z)-N,3-dibutyl-4-(2-oxo-2H-chromen-3-yl)-2,3- dihydro-1,3-thiazol-2-iminium bromide
• Formula: C20 H25 Br N2 O2 S
• Calculated formula: C20 H25 Br N2 O2 S
• SMILES: [Br-].c1(=O)c(cc2c(cccc2)o1)c1csc([n+]1CCCC)NCCCC
• Title of publication: An Improved One-Pot Multicomponent Strategy for the Preparation of Thiazoline, Thiazolidinone and Thiazolidinol Scaffolds
• Authors of publication: Kumbhare, Ravindra M.; appalanaidu, killari; Dadmal, Tulshiram L.; Nanubolu, Jagadeesh babu
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.7828 ± 0.0008 Å
• b: 11.0859 ± 0.0007 Å
• c: 16.1335 ± 0.001 Å
• α: 90°
• β: 93.199 ± 0.001°
• γ: 90°
• Cell volume: 2104.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No