Vallat Olivier, Buciumas Ana-Maria, Neier Reinhard, Stoeckli-Evans Helen
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 28;65(Pt 2):o396-7. doi: 10.1107/S1600536808043857.
In the title compound, C(11)H(12)N(4)O(5), the mean plane through the nitro substituent on the benzene ring is inclined to the benzene mean plane by 85.8 (2)°, which avoids steric inter-actions with the ortho substituents. The hydr-oxy group is involved in bifurcated hydrogen bonds. The first is an intra-molecular O-H⋯O hydrogen bond, involving the ester carbonyl O atom, which gives rise to the formation of a boat-like hydrogen-bonded chelate ring. The second is an inter-molecular O-H⋯N hydrogen bond involving the first N atom of the azide group of a symmetry-related mol-ecule. In the crystal structure this leads to the formation of a polmer chain extending in the c-axis direction.
在标题化合物C(11)H(12)N(4)O(5)中,苯环上硝基取代基所在的平均平面与苯的平均平面倾斜85.8 (2)°,这避免了与邻位取代基的空间相互作用。羟基参与了分叉氢键。第一个是分子内O—H⋯O氢键,涉及酯羰基O原子,这导致形成一个船状的氢键螯合环。第二个是分子间O—H⋯N氢键,涉及一个对称相关分子的叠氮基团的第一个N原子。在晶体结构中,这导致形成了一个沿c轴方向延伸的聚合物链。