Information card for entry 7239858

Structure parameters

• Formula: C18 H16 N2 O5 S
• Calculated formula: C18 H16 N2 O5 S
• Title of publication: Regioselective convergent synthesis of 2-arylidene thiazolo[3,2-a]pyrimidines as potential anti-chikungunya agents
• Authors of publication: Fares, Mohamed; McCosker, Patrick M.; Alsherbiny, Muhammad A.; Willis, Anthony C.; Clark, Timothy; Neyts, Johan; Jochmans, Dirk; Keller, Paul A.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 5191 - 5195
• a: 7.8375 ± 0.0003 Å
• b: 8.2458 ± 0.0003 Å
• c: 14.5394 ± 0.0007 Å
• α: 87.176 ± 0.004°
• β: 74.562 ± 0.004°
• γ: 73.335 ± 0.004°
• Cell volume: 867.31 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0349
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No