1-[(E)-4-(5-溴-1H-吲哚-3-基)-1-甲基-2,5,6,7-四氢-1H-氮杂卓-2-亚基]丙酮
1-[(E)-4-(5-Bromo-1H-indol-3-yl)-1-methyl-2,5,6,7-tetra-hydro-1H-azepin-2-yl-idene]propan-2-one.
作者信息
Helliwell Madeleine, Aghazadeh Masomeh, Baradarani Mehdi M, Joule John A
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 5;66(Pt 7):o1532. doi: 10.1107/S1600536810019975.
Abstract
In the title compound, C(18)H(19)BrN(2)O, the seven-membered azepine ring adopts a twist-boat conformation: the bond angles about the azepine N atom are indicative of sp(2) hybridization. The dihedral angle between the plane of the carbon-carbon double bond of the enone unit and the mean plane of the indole ring is 27.8 (1)°. In the crystal, an N-H⋯O hydrogen bond links the mol-ecules into chains along the b axis.
摘要
在标题化合物C(18)H(19)BrN(2)O中，七元氮杂环庚烷环呈扭船构象：氮杂环庚烷N原子周围的键角表明为sp(2)杂化。烯酮单元中碳 - 碳双键平面与吲哚环平均平面之间的二面角为27.8 (1)°。在晶体中，一个N - H⋯O氢键将分子沿b轴连接成链。
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