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(E)-6-溴-3-{2-[2-(2-氯苄叉基)肼基]噻唑-5-基}-2H-色烯-2-酮二甲基亚砜单溶剂合物

(E)-6-Bromo-3-{2-[2-(2-chloro-benzyl-idene)hydrazin-yl]thia-zol-5-yl}-2H-chromen-2-one dimethyl sulfoxide monosolvate.

作者信息

Arshad Afsheen, Osman Hasnah, Lam Chan Kit, Hemamalini Madhukar, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o1009-10. doi: 10.1107/S1600536811011160. Epub 2011 Mar 31.

Abstract

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.

摘要

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b31f/3100073/5205e182cdf9/e-67-o1009-fig1.jpg

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