Çelik Ísmail, Akkurt Mehmet, Jarrahpour Aliasghar, Rad Javad Ameri, Çelik Ömer
Department of Physics, Faculty of Arts and Sciences, Cumhuriyet University, 06532 Sivas, Turkey.
Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
Acta Crystallogr E Crystallogr Commun. 2015 Feb 13;71(Pt 3):o184-5. doi: 10.1107/S2056989015002959. eCollection 2015 Mar 1.
The central β-lactam ring of the title compound, C36H24N2O4, is almost planar (r.m.s. deviation = 0.003 Å) and makes dihedral angles of 17.17 (19), 89.76 (17) and 78.44 (17)° with the benzene ring, the anthracene ring (r.m.s. deviation = 0.003 Å) and the 1H-benzo[de]iso-quinoline-1,3(2H)-dione moiety, which is nearly planar [maximum deviation = 0.098 (2) Å], respectively. The mol-ecular structure is stabilized by an intra-molecular C-H⋯N hydrogen bond. In the crystal, mol-ecules are linked via C-H⋯π and π-π stacking inter-actions [centroid-centroid distances = 3.5270 (19) and 3.779 (2) Å], forming a three-dimensional structure. A region of disordered electron density, probably disordered solvent mol-ecules, was treated with the SQUEEZE procedure in PLATON [Spek (2015 ▶). Acta Cryst. C71, 9-18], which indicated a solvent cavity of 322 Å(3) containing approximately 91 electrons. Their formula mass and unit-cell characteristics were not taken into account during the refinement.
标题化合物C36H24N2O4的中心β-内酰胺环几乎呈平面状（均方根偏差 = 0.003 Å），与苯环、蒽环（均方根偏差 = 0.003 Å）以及1H-苯并[de]异喹啉-1,3(2H)-二酮部分（几乎呈平面状，最大偏差 = 0.098 (2) Å）的二面角分别为17.17 (19)°、89.76 (17)°和78.44 (17)°。分子结构通过分子内C-H⋯N氢键得以稳定。在晶体中，分子通过C-H⋯π和π-π堆积相互作用相连[质心-质心距离 = 3.5270 (19) 和3.779 (2) Å]，形成三维结构。一个无序电子密度区域，可能是无序的溶剂分子，用PLATON中的SQUEEZE程序[Spek (2015 ▶). Acta Cryst. C71, 9 - 18]进行了处理，结果表明存在一个322 ų的溶剂空穴，包含约91个电子。在精修过程中未考虑它们的化学式量和晶胞特征。
