Chen Xiao-Na, Hu Wen-Hao, Li Xiao-Liu, Xu Hua-Dong
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1192. doi: 10.1107/S1600536811014413. Epub 2011 Apr 22.
In the title compound, C(6)H(9)N(3)O(3), the 3-diazo-2-oxopropan-amide section of the mol-ecule is nearly planar, with a maximum deviation of 0.025 (1) Å from the mean plane of its constituent atoms. The diazo C=N=N angle is 178.0 (3)°. In the crystal, pairs of inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into infinite double chains along the [100] direction. The double chains are additionally stabilized by weak C-H⋯O contacts with C⋯O distances of 3.039 (3) Å. Neighboring double chains in turn inter-act with each other through π-π stacking inter-actions [centroid-centroid distance of the 3-diazo-2-oxopropanamide units = 3.66 (6) Å] to form infinite stacks along the b axis. Mol-ecules from neighboring stacks inter-digitate with each other in the c-axis direction, thus leading to an inter-woven three-dimensional network held together by O-H⋯O, N-H⋯O and C-H⋯O inter-actions and π-π stacking.
在标题化合物C₆H₉N₃O₃中，分子的3-重氮基-2-氧代丙酰胺部分近乎平面，其组成原子的平均平面的最大偏差为0.025 (1) Å。重氮基C=N=N角为178.0 (3)°。在晶体中，分子间的O-H⋯O和N-H⋯O氢键对沿着[100]方向将分子连接成无限的双链。双链还通过C-H⋯O弱接触（C⋯O距离为3.039 (3) Å）得到稳定。相邻的双链又通过π-π堆积相互作用[3-重氮基-2-氧代丙酰胺单元的质心-质心距离 = 3.66 (6) Å]相互作用，沿b轴形成无限的堆积。相邻堆积中的分子在c轴方向上相互交错，从而导致通过O-H⋯O、N-H⋯O和C-H⋯O相互作用以及π-π堆积结合在一起的交织三维网络。
