Information card for entry 5000155

Structure parameters

• Formula: C6 H5 N O2
• Calculated formula: C6 H5 N O2
• Title of publication: Low temperature crystal and molecular structure of nitrobenzene
• Authors of publication: Boese, Roland; Bläser, Dieter; Nussbaumer, Michael; Krygowski, Tadeusz Marek
• Journal of publication: Structural Chemistry
• Year of publication: 1992
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 363 - 368
• a: 3.8014 ± 0.0003 Å
• b: 11.6153 ± 0.001 Å
• c: 12.9843 ± 0.0012 Å
• α: 90°
• β: 94.984 ± 0.006°
• γ: 90°
• Cell volume: 571.15 ų
• 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No