Fun Hoong-Kun, Yeap Chin Sing, Sujith K V, Kalluraya B
Acta Crystallogr Sect E Struct Rep Online. 2009 May 7;65(Pt 6):o1229. doi: 10.1107/S1600536809016365.
In the title compound, C(18)H(19)ClN(4)O(3), the dihydro-pyrimidin-one ring adopts a flattened boat conformation. The dihedral angle between the phenyl and pyrazole rings is 43.39 (6)°. An intra-molecular C-H⋯O contact generates an S(8) ring motif that stabilizes the mol-ecular conformation and precludes the carbonyl O atom of the ester group from forming inter-molecular inter-actions. Mol-ecules are linked into centrosymmetric dimers by pairs of N-H⋯O hydrogen bonds and the dimers are linked into infinite chains along [101] by N-H⋯N hydrogen bonds.
在标题化合物C(18)H(19)ClN(4)O(3)中,二氢嘧啶酮环呈扁平船式构象。苯基环和吡唑环之间的二面角为43.39 (6)°。分子内C—H⋯O接触形成一个S(8)环 motif,该 motif 稳定了分子构象,并阻止酯基的羰基O原子形成分子间相互作用。分子通过成对的N—H⋯O氢键连接成中心对称二聚体,并且这些二聚体通过N—H⋯N氢键沿[101]方向连接成无限链。