Information card for entry 2242694

Structure parameters

• Chemical name: 1-Butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1<i>H</i>-imidazol-3-ium chloride
• Formula: C18 H24 Cl N3 O
• Calculated formula: C18 H24 Cl N3 O
• Title of publication: Crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1<i>H</i>-imidazol-3-ium chloride
• Authors of publication: Zende, Vidya; Girase, Tejpalsingh Ramsingh; Chrysochos, Nicolas; Kapdi, Anant Ramakant; Schulzke, Carola
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• Pages of publication: 1665 - 1668
• a: 36.27 ± 0.007 Å
• b: 5.3986 ± 0.0011 Å
• c: 18.62 ± 0.004 Å
• α: 90°
• β: 103.34 ± 0.03°
• γ: 90°
• Cell volume: 3547.6 ± 1.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes