Information card for entry 7161080

Structure parameters

• Chemical name: RKP_NS_31_2000
• Formula: C3.61 H3.23 N0.65 O0.26 S0.13
• Calculated formula: C3.6129 H3.22581 N0.645161 O0.258065 S0.129032
• Title of publication: Catalyst-free facile synthesis of 2-(dihydropyridyl)benzothiazoles from (benzothiazol-2-yl)acrylonitriles: green route.
• Authors of publication: Singh, Nikunj; Budhwan, Rajnish; Rawat, Megha; Peddinti, Rama Krishna
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 15
• Pages of publication: 3210 - 3217
• a: 8.499 ± 0.003 Å
• b: 15.707 ± 0.006 Å
• c: 18.184 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2427.5 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1372
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.2258
• Weighted residual factors for all reflections included in the refinement: 0.2626
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No