Information card for entry 1554813

Structure parameters

• Formula: C17 H16 Cl N3 O
• Calculated formula: C17 H16 Cl N3 O
• Title of publication: One-pot three-component strategy for functionalized 2-aminoimidazoles via ring opening of α-nitro epoxides.
• Authors of publication: Guo, Xiao; Chen, Wenteng; Chen, Binhui; Huang, Wei; Qi, Weixing; Zhang, Guolin; Yu, Yongping
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 5
• Pages of publication: 1157 - 1159
• a: 8.6811 ± 0.0005 Å
• b: 13.1015 ± 0.0008 Å
• c: 15.2298 ± 0.0009 Å
• α: 66.74 ± 0.006°
• β: 82.416 ± 0.005°
• γ: 77.876 ± 0.005°
• Cell volume: 1553.57 ± 0.18 ų
• Cell temperature: 171.6 K
• Ambient diffraction temperature: 171.6 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: 0.0699
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No