Information card for entry 2100766

Structure parameters

• Formula: C9 H12 N4 O2
• Calculated formula: C9 H12 N4 O2
• Title of publication: X-ray studies on anti-tumour triazenes. Structures of 1-(4-carbamoylphenyl)-3,3-dimethyltriazene 1-oxide and 3,3-dimethyl-1-(4-nitrophenyl)triazene
• Authors of publication: Neidle, S.; Wilman, D. E. V.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 213 - 217
• a: 4.933 ± 0.002 Å
• b: 9.409 ± 0.001 Å
• c: 22.865 ± 0.004 Å
• α: 90°
• β: 94.16 ± 0.02°
• γ: 90°
• Cell volume: 1058.5 ± 0.5 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
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No