Information card for entry 2200900

Structure parameters

• Chemical name: 2-Amino-5-(4-chlorophenyl)-1-methylimidazole
• Formula: C10 H10 Cl N3
• Calculated formula: C10 H10 Cl N3
• SMILES: Clc1ccc(c2n(c(nc2)N)C)cc1
• Title of publication: 2-Amino-5-(4-chlorophenyl)-1-methylimidazole
• Authors of publication: Rybakov, Victor B.; Babaev, Eugene V.; Belykh, Eugene N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o126 - o128
• a: 10.552 ± 0.005 Å
• b: 12.833 ± 0.005 Å
• c: 15.432 ± 0.011 Å
• α: 95.53 ± 0.02°
• β: 106.57 ± 0.02°
• γ: 97.02 ± 0.02°
• Cell volume: 1968.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes