Li Hai-Lin, Wang Hong-Wei, Lu Ran-Zhe, Wang Hai-Bo
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 8;64(Pt 12):o2298. doi: 10.1107/S1600536808035848.
In the title compound, C(28)H(26)Cl(2)N(4)O(4)S, the dihedral angles between the two chloro-phenyl rings and the two oxadiazol rings are 10.51 (4)° and 13.55 (3)°, respectively. The thio-phene ring is oriented at dihedral angles of 5.59 (4)°, 8.33 (4)° and 4.41 (4)°, 11.05 (3)°, respectively, with respect to the two oxadiazol and the two chloro-phenyl rings. The intra-molecular C-H⋯O hydrogen bond results in the formation of a five-membered ring. In the crystal structure, π-π contacts between the oxadiazol rings, the chloro-phenyl rings and the chloro-phenyl and oxadiazol rings [centroid-centroid distances = 3.428 (3) Å, 3.750 (3) Å and 3.768 (3) Å, respectively] are present.
在标题化合物C₂₈H₂₆Cl₂N₄O₄S中,两个氯苯环与两个恶二唑环之间的二面角分别为10.51 (4)°和13.55 (3)°。噻吩环相对于两个恶二唑环和两个氯苯环的二面角分别为5.59 (4)°、8.33 (4)°以及4.41 (4)°、11.05 (3)°。分子内C—H⋯O氢键导致形成一个五元环。在晶体结构中,存在恶二唑环之间、氯苯环之间以及氯苯环与恶二唑环之间的π-π接触[质心-质心距离分别为3.428 (3) Å、3.750 (3) Å和3.768 (3) Å]。