Information card for entry 2235269

Structure parameters

• Chemical name: (<i>E</i>)-2-[2-(4-Chlorobenzylidene)hydrazinyl]-4-[3-(morpholin-4-ium- 4-yl)propylamino]quinazolin-1-ium bis(perchlorate)
• Formula: C22 H27 Cl3 N6 O9
• Calculated formula: C22 H27 Cl3 N6 O9
• SMILES: Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Clc1ccc(/C=N/Nc2nc(c3ccccc3[nH+]2)NCCC[NH+]2CCOCC2)cc1
• Title of publication: (<i>E</i>)-2-[2-(4-Chlorobenzylidene)hydrazinyl]-4-[3-(morpholin-4-ium-4-yl)propylamino]quinazolin-1-ium bis(perchlorate)
• Authors of publication: Jiang, Nan; Zuo, Jian; Zhu, Wenmin; Zhao, Xinjie; Zhai, Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1819
• a: 16.1835 ± 0.0007 Å
• b: 11.6719 ± 0.0004 Å
• c: 16.7332 ± 0.0006 Å
• α: 90°
• β: 112.127 ± 0.003°
• γ: 90°
• Cell volume: 2928 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes