Information card for entry 2101062

Structure parameters

• Formula: C6 H6 N2 O2
• Calculated formula: C6 H6 N2 O2
• Title of publication: Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives
• Authors of publication: Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1031 - 1039
• a: 12.122 ± 0.002 Å
• b: 6.0276 ± 0.0009 Å
• c: 8.487 ± 0.001 Å
• α: 90°
• β: 92.72 ± 0.01°
• γ: 90°
• Cell volume: 619.42 ± 0.16 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No