2-（金刚烷-1-基）-5-（4-溴苯基）-1,3,4-恶二唑的晶体结构
Crystal structure of 2-(adamantan-1-yl)-5-(4-bromo-phen-yl)-1,3,4-oxa-diazole.
作者信息
Alzoman Nourah Z, El-Emam Ali A, Ghabbour Hazem A, Chidan Kumar C S, Fun Hoong-Kun
机构信息
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, PO Box 2457, Riaydh 11451, Saudi Arabia.
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, PO Box 2457, Riaydh 11451, Saudi Arabia ; King Abdullah Institute for Nanotechnology (KAIN), King Saud University, Riyadh 11451, Saudi Arabia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 5;70(Pt 12):o1231-2. doi: 10.1107/S1600536814023861. eCollection 2014 Dec 1.
In the title mol-ecule, C18H19BrN2O, the benzene ring is inclined to the oxa-diazole ring by 10.44 (8)°. In the crystal, C-H⋯π inter-actions link the mol-ecules in a head-to-tail fashion, forming chains extending along the c-axis direction. The chains are further connected by π-π stacking inter-actions, with centroid-centroid distances of 3.6385 (7) Å, forming layers parallel to the bc plane.
在标题分子C₁₈H₁₉BrN₂O中，苯环与恶二唑环的夹角为10.44 (8)°。在晶体中，C-H⋯π相互作用以头对尾的方式连接分子，形成沿c轴方向延伸的链。这些链通过π-π堆积相互作用进一步连接，质心间距为3.6385 (7) Å，形成平行于bc平面的层。
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