Information card for entry 2000191

Structure parameters

• Formula: C8 Cl F3 N2
• Calculated formula: C8 Cl F3 N2
• SMILES: N#Cc1c(F)c(C#N)c(c(c1F)Cl)F
• Title of publication: Structure of 5-chloro-2,4,6-trifluoroisophthalonitrile
• Authors of publication: Britton, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 2472 - 2474
• a: 10.266 ± 0.003 Å
• b: 14.848 ± 0.006 Å
• c: 11.537 ± 0.003 Å
• α: 90°
• β: 108.83 ± 0.03°
• γ: 90°
• Cell volume: 1664.5 ± 1 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No