Information card for entry 2201920

Structure parameters

• Chemical name: Hydrazine carbodithioic acid pyridinium-2-yl methylester chloride
• Formula: C7 H10 Cl N3 S2
• Calculated formula: C7 H10 Cl N3 S2
• SMILES: [Cl-].S(Cc1[nH+]cccc1)C([S-])=N[NH3+]
• Title of publication: Hydrazine carbodithioic acid pyridinium-2-yl methyl ester chloride
• Authors of publication: Crouse, Karen A.; Chew, Kar Teng; Yamin, Bohari M.; Ng, Seik Weng; Tarafder, M.T.H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o148 - o150
• a: 16.57 ± 0.0008 Å
• b: 16.57 Å
• c: 15.3576 ± 0.0007 Å
• α: 90 ± 0.01°
• β: 90 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 4216.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes