Information card for entry 2222089

Structure parameters

• Chemical name: Di-2-pyridyl disulfide‒succinic acid (1/1)
• Formula: C14 H14 N2 O4 S2
• Calculated formula: C14 H14 N2 O4 S2
• SMILES: c1ccc(nc1)SSc1ccccn1.OC(=O)CCC(=O)O
• Title of publication: Di-2-pyridyl disulfide‒succinic acid (1/1)
• Authors of publication: Zhang, Cheng; Yuan, Ling; Liu, Ji-Yong; Xu, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1213
• a: 8.4211 ± 0.0017 Å
• b: 13.347 ± 0.003 Å
• c: 14.141 ± 0.003 Å
• α: 90°
• β: 98.43 ± 0.03°
• γ: 90°
• Cell volume: 1572.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes