Ishikawa Yoshinobu, Yoshida Nanako
School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526, Japan.
Acta Crystallogr Sect E Struct Rep Online. 2014 May 31;70(Pt 6):o719. doi: 10.1107/S1600536814011854. eCollection 2014 Jun 1.
In the title compound, C13H13NO4, the asymmetric unit contains four independent mol-ecules, each exhibiting an intra-molecular N-H⋯O hydrogen bond. The ethyl group in one of the four mol-ecules is disordered, with a refined occupancy ratio of 0.295 (16):0.705 (16). A face-to-face stacking inter-action is found between the benzene rings of the quinoline units of two of the mol-ecules [centroid-centroid distance = 3.541 (2) Å], which are sandwiched by the other two mol-ecules through N-H⋯O hydrogen bonding. In the crystal, the sandwiched mol-ecules are assembled via stacking inter-actions along the b-axis direction with their translation-symmetry equivalents [centroid-centroid distance = 3.529 (2) Å], and are further linked through N-H⋯O hydrogen bonding. The other two mol-ecules are linked via stacking inter-actions with their inversion-symmetry equivalents [centroid-centroid distances = 3.512 (3) and 3.716 (4) Å] and via N-H⋯O hydrogen bonding.
在标题化合物C₁₃H₁₃NO₄中，不对称单元包含四个独立分子，每个分子都呈现出分子内N-H⋯O氢键。四个分子中的一个分子中的乙基无序，精制占有率比为0.295 (16):0.705 (16)。在两个分子的喹啉单元的苯环之间发现了面对面的堆积相互作用[质心-质心距离 = 3.541 (2) Å]，这两个分子被另外两个分子通过N-H⋯O氢键夹在中间。在晶体中，被夹在中间的分子通过堆积相互作用沿着b轴方向与其平移对称等效物组装在一起[质心-质心距离 = 3.529 (2) Å]，并通过N-H⋯O氢键进一步连接。另外两个分子通过与其反演对称等效物的堆积相互作用[质心-质心距离 = 3.512 (3)和3.716 (4) Å]以及N-H⋯O氢键相连。
