Information card for entry 2234474

Structure parameters

• Chemical name: 4-[(<i>E</i>)-2-(2,4-Dichlorobenzylidene)hydrazin-1-yl]quinolin-1-ium chloride monohydrate
• Formula: C16 H14 Cl3 N3 O
• Calculated formula: C16 H14 Cl3 N3 O
• SMILES: Clc1c(/C=N/Nc2cc[nH+]c3c2cccc3)ccc(Cl)c1.[Cl-].O
• Title of publication: 4-[(<i>E</i>)-2-(2,4-Dichlorobenzylidene)hydrazin-1-yl]quinolin-1-ium chloride monohydrate
• Authors of publication: Wardell, Solange M. S. V.; Tiekink, Edward R. T.; Wardell, James L.; de Ferreira, Marcelle; de Souza, Marcus V. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1232 - o1233
• a: 7.6815 ± 0.0002 Å
• b: 9.7491 ± 0.0003 Å
• c: 10.8418 ± 0.0003 Å
• α: 87.831 ± 0.002°
• β: 87.171 ± 0.002°
• γ: 87.146 ± 0.002°
• Cell volume: 809.41 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0552
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes