Information card for entry 2230525

Structure parameters

• Chemical name: 1-[2-(2,4-dichlorophenyl)-2-(prop-2-enyloxy)ethyl]-1<i>H</i>-imidazole
• Formula: C14 H14 Cl2 N2 O
• Calculated formula: C14 H14 Cl2 N2 O
• SMILES: Clc1cc(Cl)ccc1C(OCC=C)Cn1cncc1
• Title of publication: Imazalil: 1-[2-(2,4-dichlorophenyl)-2-(prop-2-enyloxy)ethyl]-1<i>H</i>-imidazole
• Authors of publication: Cheon, Sanghun; Shin, Yong Woon; Park, Ki-Min; Kim, Jineun; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1459
• a: 7.9374 ± 0.0006 Å
• b: 13.4144 ± 0.0012 Å
• c: 13.479 ± 0.001 Å
• α: 90°
• β: 103.386 ± 0.005°
• γ: 90°
• Cell volume: 1396.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes