Information card for entry 7231784

Structure parameters

• Common name: Hamada_BT4_24_07_11
• Formula: C20 H11 N5 O S
• Calculated formula: C20 H11 N5 O S
• Title of publication: l-Proline catalyzed one-pot synthesis of polysubstituted pyridine system incorporating benzothiazole moiety via sustainable sonochemical approach
• Authors of publication: Ibrahim, Hamada Mohamed; Ahmed Arafa, Wael Abdelgayed; Behbehani, Haider
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 66
• Pages of publication: 37606
• a: 6.4337 ± 0.0001 Å
• b: 11.1793 ± 0.0003 Å
• c: 12.2318 ± 0.0003 Å
• α: 93.911 ± 0.001°
• β: 94.666 ± 0.001°
• γ: 94.232 ± 0.001°
• Cell volume: 872.02 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.684
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No