Information card for entry 7231786

Structure parameters

• Formula: C20 H10 Cl N5 O S
• Calculated formula: C20 H10 Cl 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: 6.4441 ± 0.0008 Å
• b: 12.3108 ± 0.0013 Å
• c: 12.7473 ± 0.0012 Å
• α: 61.344 ± 0.005°
• β: 80.031 ± 0.006°
• γ: 83.005 ± 0.006°
• Cell volume: 873.13 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No