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16 - [(E) - 亚苄基] - 13 - 羟基 - 4 - 甲基 - 2 - 苯基 - 4,14 - 二氮杂 - 五环 - [12.3.1.0.0.0]十八碳 - 7(12),8,10 - 三烯 - 6,17 - 二酮

16-[(E)-Benzyl-idene]-13-hy-droxy-4-methyl-2-phenyl-4,14-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-7(12),8,10-triene-6,17-dione.

作者信息

Kumar Raju Suresh, Osman Hasnah, Ali Mohamed Ashraf, Quah Ching Kheng, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 5;66(Pt 7):o1540-1. doi: 10.1107/S1600536810020271.

DOI:10.1107/S1600536810020271
PMID:21587787
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006797/
Abstract

In the title compound, C(30)H(26)N(2)O(3), the two pyrrolidine rings adopt twisted and envelope conformations, whereas the cyclo-pentane ring adopts an envelope conformation. The least-squares planes through the pyrrolidine rings form a dihedral angle of 41.72 (10)°. The mol-ecular structure is stabilized by an intra-molecular O-H⋯N hydrogen bond, which generates an S(5) ring motif. Centrosymmetrically related mol-ecules are linked via two pairs of inter-molecular C-H⋯O inter-actions, forming R(2) (2)(16) ring motifs. In the crystal packing, the mol-ecules are linked into two-dimensional networks parallel to the ab plane via C-H⋯O inter-actions.

摘要

在标题化合物C(30)H(26)N(2)O(3)中,两个吡咯烷环呈扭曲和信封式构象,而环戊烷环呈信封式构象。通过吡咯烷环的最小二乘平面形成41.72 (10)°的二面角。分子结构通过分子内O-H⋯N氢键得以稳定,该氢键形成了一个S(5)环模式。中心对称相关的分子通过两对分子间C-H⋯O相互作用相连,形成R(2) (2)(16)环模式。在晶体堆积中,分子通过C-H⋯O相互作用连接成平行于ab平面的二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0cbb/3006797/1b306f06af80/e-66-o1540-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0cbb/3006797/e48425bf38bb/e-66-o1540-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0cbb/3006797/1b306f06af80/e-66-o1540-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0cbb/3006797/e48425bf38bb/e-66-o1540-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0cbb/3006797/1b306f06af80/e-66-o1540-fig2.jpg

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