Information card for entry 7206731

Structure parameters

• Formula: C19 H22 N5 O4 S2
• Calculated formula: C19 H22 N5 O4 S2
• Title of publication: Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives
• Authors of publication: Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 6531
• a: 8.386 ± 0.0007 Å
• b: 17.295 ± 0.0012 Å
• c: 15.4566 ± 0.0011 Å
• α: 90°
• β: 98.935 ± 0.003°
• γ: 90°
• Cell volume: 2214.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No