Information card for entry 7233002

Structure parameters

• Formula: C19 H15 Cl N2 O3 S
• Calculated formula: C19 H15 Cl N2 O3 S
• Title of publication: Solvent-dependent regio- and stereo-selective reactions of 3-formylchromones with 2-aminobenzothiazoles and transacetalization efficiency of the product 3-((benzo[d]thiazol-2-ylimino)butyl)-4H-chromen-4-one
• Authors of publication: Ahmed, Owais; Cherkadu, Vandana; Kalavagunta, Praveen Kumar; Shang, Jing
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 36
• Pages of publication: 20573
• a: 6.8574 ± 0.0008 Å
• b: 8.7551 ± 0.0011 Å
• c: 15.6015 ± 0.0018 Å
• α: 74.57 ± 0.005°
• β: 81.993 ± 0.006°
• γ: 84.59 ± 0.006°
• Cell volume: 892.5 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No