Information card for entry 2237207

Structure parameters

• Chemical name: 1-{(<i>Z</i>)-1-(2,4-Dichlorophenyl)-1-[2-(4-methylphenoxy)ethoxy]prop- 1-en-2-yl}-1<i>H</i>-imidazol-3-ium nitrate
• Formula: C21 H21 Cl2 N3 O5
• Calculated formula: C21 H21 Cl2 N3 O5
• SMILES: Clc1c(C(=C(n2c[nH+]cc2)\C)/OCCOc2ccc(cc2)C)ccc(Cl)c1.O=N(=O)[O-]
• Title of publication: 1-{(<i>Z</i>)-1-(2,4-Dichlorophenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl}-1<i>H</i>-imidazol-3-ium nitrate
• Authors of publication: Guo, Song; Hu, Yong-hong; Luan, Yuan-yuan; Wang, Lu-lu; Yang, Wen-ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o27
• a: 9.53 ± 0.0019 Å
• b: 9.924 ± 0.002 Å
• c: 12.449 ± 0.003 Å
• α: 69.05 ± 0.03°
• β: 80.59 ± 0.03°
• γ: 88.75 ± 0.03°
• Cell volume: 1083.9 ± 0.5 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: 0.0688
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes