2-{[5-(甲基硫烷基)-4-苯基-4H-1,2,4-三唑-3-基]甲基}苯并[d]噻唑的晶体结构
Crystal structure of 2-{[5-(methyl-sulfan-yl)-4-phenyl-4-1,2,4-triazol-3-yl]meth-yl}benzo[]thia-zole.
作者信息
Azzam Rasha A, Elgemeie Galal H, Elboshi Heba A, Jones Peter G
机构信息
Chemistry Department, Faculty of Science, Helwan University, Cairo, Egypt.
Institut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Hagenring 30, D-38106 Braunschweig, Germany.
出版信息
Acta Crystallogr E Crystallogr Commun. 2023 Aug 23;79(Pt 9):817-820. doi: 10.1107/S2056989023007041. eCollection 2023 Sep 1.
In the structure of the title compound, CHNO, the triazole ring exhibits inter-planar angles of 63.86 (2) and 76.96 (2)° with the phenyl and benzo-thia-zole planes, respectively. The C-C-C angle at the methyl-ene group is rather wide at 114.28 (4)°. The packing involves three borderline C-H⋯N contacts, two of which combine to form layers parallel to , and a pairing of the triazole rings across an inversion centre [inter-planar distance of 3.1852 (2) Å].
在标题化合物CHNO的结构中，三唑环与苯环和苯并噻唑平面的面间夹角分别为63.86 (2)°和76.96 (2)°。亚甲基处的C-C-C角相当宽，为114.28 (4)°。堆积涉及三个临界C-H⋯N接触，其中两个结合形成平行于……的层，并且三唑环通过一个对称中心配对[面间距离为3.1852 (2) Å] 。 （注：原文中“parallel to ”后面缺少具体内容）
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