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):o1009-10. doi: 10.1107/S1600536811011160. Epub 2011 Mar 31.
In the title compound C(19)H(11)N(3)O(2)SClBr·C(2)H(6)OS, the mol-ecule adopts an E configuration about the central C=N double bond. The chromene ring system and the thia-zole ring are approximately planar, with maximum deviations of 0.027 (2) and 0.003 (1) Å, respectively. The central thia-zole ring makes dihedral angles of 21.82 (9) and 5.88 (7)° with the chloro-substituted phenyl ring and the chromene ring, respectively. In the crystal, mol-ecules are connected via N-H⋯O, N-H⋯S and C-H⋯O hydrogen bonds, forming supra-molecular chains along the c axis. An intra-molecular C-H⋯O hydrogen bond occurs. π-π inter-actions are observed between the thia-zole and phenyl rings [centroid-centroid distance = 3.6293 (10) Å]. A short Br⋯Cl contact of 3.37 (6) Å also occurs.
在标题化合物C(19)H(11)N(3)O(2)SClBr·C(2)H(6)OS中，分子围绕中心C=N双键采取E构型。色烯环系和噻唑环近似平面，最大偏差分别为0.027 (2)和0.003 (1) Å。中心噻唑环与氯取代苯环和色烯环的二面角分别为21.82 (9)和5.88 (7)°。在晶体中，分子通过N-H⋯O、N-H⋯S和C-H⋯O氢键相连，沿c轴形成超分子链。存在分子内C-H⋯O氢键。在噻唑环和苯环之间观察到π-π相互作用[质心-质心距离 = 3.6293 (10) Å]。还存在3.37 (6) Å的短Br⋯Cl接触。
