Maliha Bushra, Tariq Muhammad Ilyas, Tahir M Nawaz, Hussain Ishtiaq, Siddiqui Hamid Latif
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 6;65(Pt 1):o42-3. doi: 10.1107/S1600536808040828.
In the mol-ecule of the title compound, C(14)H(20)N(4)O(3), the five-membered ring adopts an envelope conformation with the O atom displaced by 0.207 (3) Å from the plane of the other ring atoms. Intra-molecular C-H⋯O hydrogen bonds result in the formation of three five-membered rings having envelope conformations. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules, forming R(2) (2)(20) ring motifs, which produce two-dimensional polymeric sheets extending along the b axis. There are also two C-H⋯π inter-actions. The H atoms of one of the methyl groups are disordered over two positions and were refined with occupancies of 0.50.
在标题化合物C(14)H(20)N(4)O(3)的分子中，五元环呈信封式构象，其中O原子偏离其他环原子平面0.207 (3) Å。分子内的C—H⋯O氢键导致形成三个具有信封式构象的五元环。在晶体结构中，分子间的N—H⋯O氢键连接分子，形成R(2) (2)(20)环基序，产生沿b轴延伸的二维聚合物片层。此外还有两个C—H⋯π相互作用。其中一个甲基的H原子在两个位置上无序分布，占有率为0.50进行精修。
