3-Diazo-N-[(2S)-1-hy-droxy-propan-2-yl]-2-oxopropanamide.
3-Diazo-N-[(2S)-1-hy-droxy-propan-2-yl]-2-oxopropanamide.
复制标题
3-重氮-N-[(2S)-1-羟基丙-2-基]-2-氧代丙酰胺
DOI：
10.1107/s1600536811014413
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发表时间：
2011-05-01
期刊：
影响因子：
--
通讯作者：
Xu HD
中科院分区：
文献类型：
--
作者：
Chen XN;Hu WH;Li XL;Xu HD
在标题化合物C_6H_9N_3O_3中，分子的3-重氮-2-氧代丙酰胺部分几乎是平面的，与其组成原子的平均平面的最大偏差为0.025（1）π。 重氮C=N=N角为178.0（3）°。 在晶体中，分子间的O-H-O和N-H-O氢键将分子沿[100]方向连接成沿着无限长的双链。双链还通过弱C-H O接触稳定，C O距离为3.039（3）<$。 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）π]相互作用，从而沿B轴沿着形成无限堆积。 来自相邻堆叠的分子团在c轴方向上相互交叉，从而导致通过O-H O、N-H O和C-H O相互作用和π-π堆叠而保持在一起的相互交叉编织的三维网络。
In the title compound, C6H9N3O3, the 3-diazo-2-oxopropanamide section of the molecule 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 intermolecular O—H⋯O and N—H⋯O hydrogen bonds link the molecules 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 interact with each other through π–π stacking interactions [centroid–centroid distance of the 3-diazo-2-oxopropanamide units = 3.66 (6) Å] to form infinite stacks along the b axis. Molecules from neighboring stacks interdigitate with each other in the c-axis direction, thus leading to an interwoven three-dimensional network held together by O—H⋯O, N—H⋯O and C—H⋯O interactions and π–π stacking.