Information card for entry 2100867

Structure parameters

• Formula: C6 H5 Cl F N
• Calculated formula: C6 H5 Cl F N
• SMILES: Nc1ccc(c(c1)Cl)F
• Title of publication: Electron-density distribution in fluorobenzene derivatives
• Authors of publication: Kubota, M.; Ohba, S.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 849 - 854
• a: 14.608 ± 0.005 Å
• b: 15.757 ± 0.006 Å
• c: 5.303 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1220.6 ± 0.8 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No