Information card for entry 2100866

Structure parameters

• Formula: C7 H6 F N O
• Calculated formula: C7 H6 F N O
• SMILES: NC(=O)c1ccc(cc1)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: 9.584 ± 0.002 Å
• b: 7.601 ± 0.003 Å
• c: 8.903 ± 0.002 Å
• α: 90°
• β: 92.67 ± 0.03°
• γ: 90°
• Cell volume: 647.9 ± 0.3 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No