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1-氧代-1,2,3,4-四氢-9H-咔唑-3-羧酸乙酯

Ethyl 1-oxo-1,2,3,4-tetra-hydro-9H-carbazole-3-carboxyl-ate.

作者信息

Hökelek Tuncer, Dal Hakan, Tercan Barış, Göçmentürk Mustafa, Ergün Yavuz

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 27;65(Pt 7):o1702-3. doi: 10.1107/S160053680902385X.

DOI:10.1107/S160053680902385X
PMID:21582955
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969242/
Abstract

The title compound, C(15)H(15)NO(3), contains a carbazole skeleton with an ethoxy-carbonyl group at the 3 position. In the indole ring system, the benzene and pyrrole rings are nearly coplanar, forming a dihedral angle of 1.95 (8)°. The cyclo-hexenone ring has an envelope conformation. In the crystal structure, pairs of strong N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers with R(2) (2)(10) ring motifs. π-π contacts between parallel pyrrole rings [centroid-centroid distance = 3.776 (2) Å] may further stabilize the structure. A weak C-H⋯π inter-action is also observed.

摘要

标题化合物C(15)H(15)NO(3)含有一个在3位带有乙氧羰基的咔唑骨架。在吲哚环系统中，苯环和吡咯环几乎共面，形成的二面角为1.95 (8)°。环己烯酮环具有信封式构象。在晶体结构中，成对的强N-H⋯O氢键将分子连接成具有R(2) (2)(10)环模式的中心对称二聚体。平行吡咯环之间的π-π接触[质心-质心距离 = 3.776 (2) Å]可能进一步稳定该结构。还观察到一个弱的C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ad0/2969242/50e39c4db614/e-65-o1702-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ad0/2969242/cea066055d49/e-65-o1702-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ad0/2969242/50e39c4db614/e-65-o1702-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ad0/2969242/cea066055d49/e-65-o1702-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ad0/2969242/50e39c4db614/e-65-o1702-fig2.jpg

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