Arshad Afsheen, Osman Hasnah, Lam Chan Kit, Hemamalini Madhukar, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o1007-8. doi: 10.1107/S1600536811011172. Epub 2011 Mar 31.
In the title compound, C(19)H(11)N(3)O(2)SClBr, the chromene ring system and the thia-zole ring are each approximately planar, with maximum deviations of 0.033 (3) Å and 0.006 (3) Å, respectively. The mol-ecule adopts an E configuration about the central C=N double bond. The central thia-zole ring makes dihedral angles of 9.06 (14)° and 12.07 (11)° with the chloro-substituted phenyl ring and the chromene ring, respectively. The mol-ecular structure features a short C-H⋯O contact, which generates an S(6) ring motif. The crystal structure is stabilized by inter-molecular N-H⋯O hydrogen bonds, which link the mol-ecules into chains along the b axis. π-π stacking inter-actions [centroid-centroid distance = 3.4813 (15) Å] are also present.
在标题化合物C₁₉H₁₁N₃O₂SClBr中，色烯环系和噻唑环各自近似平面，最大偏差分别为0.033 (3) Å和0.006 (3) Å。分子围绕中心C=N双键采取E构型。中心噻唑环与氯取代的苯环和色烯环分别形成9.06 (14)°和12.07 (11)°的二面角。分子结构具有短的C-H⋯O接触，形成一个S(6)环模式。晶体结构通过分子间N-H⋯O氢键得以稳定，这些氢键沿着b轴将分子连接成链。还存在π-π堆积相互作用[质心-质心距离 = 3.4813 (15) Å]。
