Information card for entry 2235298

Structure parameters

• Chemical name: 4-Cyanopyridinium chloride
• Formula: C6 H5 Cl N2
• Calculated formula: C6 H5 Cl N2
• SMILES: N#Cc1cc[nH+]cc1.[Cl-]
• Title of publication: 4-Cyanopyridinium chloride
• Authors of publication: Zheng, Wen-Ni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1611
• a: 6.6166 ± 0.0002 Å
• b: 7.6552 ± 0.0003 Å
• c: 8.3495 ± 0.0005 Å
• α: 63.957 ± 0.005°
• β: 69.83 ± 0.002°
• γ: 74.367 ± 0.004°
• Cell volume: 353.16 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2316
• Weighted residual factors for all reflections included in the refinement: 0.2344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.321
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes