Information card for entry 2241067

Structure parameters

• Common name: Fenclorim
• Chemical name: 4,6-Dichloro-2-phenylpyrimidine
• Formula: C10 H6 Cl2 N2
• Calculated formula: C10 H6 Cl2 N2
• SMILES: Clc1nc(nc(Cl)c1)c1ccccc1
• Title of publication: Crystal structure of fenclorim
• Authors of publication: Kwon, Eunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o714
• a: 5.621 ± 0.0006 Å
• b: 17.0659 ± 0.0018 Å
• c: 10.2582 ± 0.0012 Å
• α: 90°
• β: 99.69 ± 0.006°
• γ: 90°
• Cell volume: 970 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes