Information card for entry 2000755

Structure parameters

• Chemical name: 2,4-dioxido-1,2,3,4-benzotetrazine-2,4-diium
• Formula: C6 H4 N4 O2
• Calculated formula: C6 H4 N4 O2
• Title of publication: Structure of benzo-1,2,3,4-tetrazine 1,3-dioxide
• Authors of publication: Yamaguchi, K.; Takahashi, H.; Kaihoh, T.; Itoh, T.; Okada, M.; Nagata, K.; Matsumura, G.; Ohsawa, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 1237 - 1239
• a: 13.602 ± 0.001 Å
• b: 14.477 ± 0.002 Å
• c: 6.969 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1372.3 ± 0.3 ų
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No