Information card for entry 2023529

Structure parameters

• Chemical name: 1-[2-(2-Chloroethoxy)ethyl]-2-methyl-4-nitro-1<i>H</i>-imidazole
• Formula: C8 H12 Cl N3 O3
• Calculated formula: C8 H12 Cl N3 O3
• Title of publication: Crystal structure and Hirshfeld surface analysis of 1-[2-(2-chloroethoxy)ethyl]-2-methyl-4-nitro-1H-imidazole
• Authors of publication: Mohan Kumar, Thaluru M.; Bhavya, Papegowda; Bhaskar, Besagarahally L.; Shankara Prasad, Holehundi J.; Yathirajan, Hemmige S.; Parkin, Sean
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 7
• a: 8.581 ± 0.0004 Å
• b: 11.1448 ± 0.0007 Å
• c: 11.5757 ± 0.0005 Å
• α: 98.662 ± 0.002°
• β: 93.164 ± 0.002°
• γ: 103.444 ± 0.002°
• Cell volume: 1059.71 ± 0.1 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0363
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No