Information card for entry 2220846

Structure parameters

• Chemical name: 2-(3-Chlorophenyl)-4,5-dihydro-1<i>H</i>-imidazole
• Formula: C9 H9 Cl N2
• Calculated formula: C9 H9 Cl N2
• SMILES: Clc1cc(ccc1)C1=NCCN1
• Title of publication: 2-(3-Chlorophenyl)-4,5-dihydro-1<i>H</i>-imidazole
• Authors of publication: Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o338 - o339
• a: 19.7329 ± 0.0008 Å
• b: 39.1479 ± 0.0018 Å
• c: 4.3493 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3359.8 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes