Information card for entry 2240370

Structure parameters

• Chemical name: (<i>E</i>)-3-{[2-(2,4-Dichlorobenzylidene)hydrazin-1-yl]carbonyl}pyridinium chloride trihydrate
• Formula: C13 H16 Cl3 N3 O4
• Calculated formula: C13 H16 Cl3 N3 O4
• SMILES: Clc1c(/C=N/NC(=O)c2c[nH+]ccc2)ccc(Cl)c1.[Cl-].O.O.O
• Title of publication: Crsytal structure of (<i>E</i>)-3-{[2-(2,4-dichlorobenzylidene)hydrazin-1-yl]carbonyl}pyridinium chloride trihydrate
• Authors of publication: Novina, J. Josephine; Vasuki, G.; Suresh, M.; Padusha, M. Syed Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o105 - o106
• a: 8.4631 ± 0.0004 Å
• b: 9.5968 ± 0.0005 Å
• c: 10.83 ± 0.0006 Å
• α: 76.604 ± 0.002°
• β: 89.155 ± 0.002°
• γ: 83.195 ± 0.002°
• Cell volume: 849.56 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes