Information card for entry 2204808

Structure parameters

• Chemical name: 2-Butyl-4-chloro-1-(4-nitrobenzyl)-1H-imidazole-5-carboxaldehyde
• Formula: C15 H16 Cl N3 O3
• Calculated formula: C15 H16 Cl N3 O3
• Title of publication: 2-Butyl-4-chloro-1-(4-nitrobenzyl)-1<i>H</i>-imidazole-5-carboxaldehyde
• Authors of publication: Gaonkar, Santhosh L.; Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Narasegowda, Rajenahally S.; Lynch, Daniel E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2520 - o2521
• a: 8.3007 ± 0.0005 Å
• b: 12.2295 ± 0.0006 Å
• c: 16.5605 ± 0.001 Å
• α: 103.42 ± 0.004°
• β: 95.561 ± 0.003°
• γ: 106.758 ± 0.003°
• Cell volume: 1541.35 ± 0.16 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: 0.121
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes