Crystal Structure of 1,4-Dimethyl 2.5[2′-dispiroindane-1,3-dione]piperazine

S. Nirmala, E. Kamala, L. Sudha, E. Ramesh, R. Raghunathan
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Abstract

The title compound (C22H18N2O4) crystallizes in monoclinic space group P21/n with one-half molecule in the asymmetric unit. The complete molecule is generated by inversion symmetry. The structure was solved by direct methods and refined by full-matrix least-squares procedures to a final R = 0.046 and wR = 0.1187 using 2766 reflections. The piperazine and the cyclo-pentane rings adopt chair and envelope conformations, respectively. The molecular packing is stabilized by C-H…O and π…π interactions in addition to van der Walls forces.
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1,4-二甲基2.5[2 ' -二吡啶-1,3-二酮]哌嗪的晶体结构
标题化合物(C22H18N2O4)在单斜空间群P21/n中结晶,半分子在不对称单元中结晶。完整的分子是由反转对称生成的。该结构采用直接法求解,并采用全矩阵最小二乘法对其进行细化,最终得到的R = 0.046, wR = 0.1187。哌嗪环和环戊烷环分别为椅状构象和包络状构象。除了范德沃尔力外,C-H…O和π…π相互作用稳定了分子堆积。
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