4-（三氟甲基）-1H-吡咯-3-羧酸甲酯
Methyl 4-(tri-fluoro-meth-yl)-1H-pyrrole-3-carboxyl-ate.
作者信息
Suchetan P A, Sreenivasa S, Palakshamurthy B S, Manojkumar K E, Madan Kumar S, Lokanath N K
机构信息
Department of Studies and Research in Chemistry, U.C.S., Tumkur University, Tumkur, Karnataka 572 103, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 18;69(Pt 10):o1566. doi: 10.1107/S160053681302549X. eCollection 2013.
In the title compound, C7H6F3NO2, all the non-H atoms except for one of the F atoms lie on a crystallographic mirror plane. In the crystal, the mol-ecules are linked into inversion dimers by pairs of C-H⋯F inter-actions, forming R 2 (2)(10) loops. These dimers are connected into C(6) chains along [001] through N-H⋯O hydrogen bonds. Aromatic π-π stacking inter-actions [centroid-centroid separation = 3.8416 (10) A°] connect the mol-ecules into a three-dimensional network.
在标题化合物C₇H₆F₃NO₂中，除了一个氟原子外，所有非氢原子都位于一个晶体学镜面平面上。在晶体中，分子通过成对的C-H⋯F相互作用连接成反演二聚体，形成R₂²(10)环。这些二聚体通过N-H⋯O氢键沿[001]方向连接成C(6)链。芳香π-π堆积相互作用[质心-质心间距 = 3.8416 (10) Å]将分子连接成三维网络。
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