Gibbons Dáire, Emandi Ganapathi, Senge Mathias O
School of Chemistry, Trinity Biomedical Sciences Institute, 152-160 Pearse Street, Trinity College Dublin, The University of Dublin, Dublin 2, Ireland.
Acta Crystallogr E Crystallogr Commun. 2018 Sep 21;74(Pt 10):1463-1466. doi: 10.1107/S2056989018012331. eCollection 2018 Oct 1.
The title compound, CHNOS, was obtained in an improved yield compared to previous literature methods. The mol-ecule is essentially planar with a maximum deviation of 0.085 Å from the mean plane through all non-H atoms. There is directive inter-molecular hydrogen bonding in the form of N-H⋯O hydrogen bonds with a distance of 2.889 (3) Å between the pyrrole amine and the ketone carbonyl O atom. The resulting hydrogen-bonding network defines a ribbon parallel to the axis. These ribbons form offset stacks along the axis.
与先前文献方法相比，标题化合物CHNOS的产率得到了提高。分子基本呈平面状，所有非H原子与平均平面的最大偏差为0.085 Å。存在以N-H⋯O氢键形式的定向分子间氢键，吡咯胺与酮羰基O原子之间的距离为2.889 (3) Å。由此产生的氢键网络定义了一个平行于 轴的带状结构。这些带状结构沿 轴形成交错堆积。
