Information card for entry 7206733

Structure parameters

• Formula: C24 H26 N6 O4 S2
• Calculated formula: C24 H26 N6 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: 11.8193 ± 0.0004 Å
• b: 12.8098 ± 0.0005 Å
• c: 26.3527 ± 0.001 Å
• α: 91.574 ± 0.002°
• β: 95.655 ± 0.002°
• γ: 100.64 ± 0.003°
• Cell volume: 3897.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1094
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No