Information card for entry 2204290

Structure parameters

• Chemical name: (2Z)-2-(Hydroximino)-3-methoxy-3-phenyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin- 4-ium perchlorate
• Formula: C13 H13 Cl N4 O6
• Calculated formula: C13 H13 Cl N4 O6
• SMILES: C1(/C(Nc2[n+]1cccn2)=N/O)(c1ccccc1)OC.Cl(=O)(=O)(=O)[O-]
• Title of publication: (2<i>Z</i>)-2-(<i>H</i>ydroximino)-3-methoxy-3-phenyl-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyrimidin-4-ium perchlorate
• Authors of publication: Anaflous, Abderahmane; Benchat, Nour-Eddine; Ben-Hadda, Taibi; El Bali, Brahim; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1719 - o1721
• a: 7.9391 ± 0.0016 Å
• b: 8.7838 ± 0.0018 Å
• c: 11.611 ± 0.002 Å
• α: 71.05 ± 0.03°
• β: 87.16 ± 0.03°
• γ: 89.42 ± 0.03°
• Cell volume: 764.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0571
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes