Information card for entry 2004241

Structure parameters

• Formula: C9 H12 N4 O
• Calculated formula: C9 H12 N4 O
• Title of publication: 1-(<i>p</i>-Carbamoylphenyl)-3,3-dimethyltriazene, an Antitumour Agent
• Authors of publication: Bullerwell, W. L.; MacGillivray, L. R.; Zaworotko, M. J.; Vaughan, K.; Wilman, D. E. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2624 - 2627
• a: 7.9572 ± 0.0016 Å
• b: 15.7497 ± 0.0012 Å
• c: 8.505 ± 0.0015 Å
• α: 90°
• β: 110.2 ± 0.02°
• γ: 90°
• Cell volume: 1000.3 ± 0.3 ų
• Cell temperature: 290 K
• 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
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 3.43
• Diffraction radiation wavelength: 0.710939 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No