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3,3-亚乙基二硫基-3,3a,4,5,10,10b-六氢-2H-呋喃并[2,3-a]咔唑

3,3-Ethyl-enedithio-3,3a,4,5,10,10b-hexa-hydro-2H-furo[2,3-a]carbazole.

作者信息

Uludağ Nesimi, Oztürk Aslı, Hökelek Tuncer, Erdoğan Umit Işık

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 25;65(Pt 3):o595-6. doi: 10.1107/S1600536809006035.

DOI:10.1107/S1600536809006035
PMID:21582250
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968651/
Abstract

The title compound, C(16)H(17)NOS(2), consists of a carbazole skeleton with tetra-hydro-furan and dithiol-ane rings. In the indole ring system, the benzene and pyrrole rings are nearly coplanar, forming a dihedral angle of 1.57 (15)°. The cyclo-hexenone and tetra-hydro-furan rings have envelope conformations, while the dithiol-ane ring adopts a twist conformation. In the crystal structure, pairs of weak inter-molecular N-H⋯S hydrogen bonds link the mol-ecules into centrosymmetric dimers with R(2) (2)(16) ring motifs. Weak C-H⋯π inter-actions may further stabilize the structure.

摘要

标题化合物C(16)H(17)NOS(2)由一个带有四氢呋喃和二硫戊环的咔唑骨架组成。在吲哚环体系中，苯环和吡咯环几乎共面，形成的二面角为1.57 (15)°。环己烯酮环和四氢呋喃环呈信封式构象，而二硫戊环采用扭曲构象。在晶体结构中，成对的弱分子间N-H⋯S氢键将分子连接成具有R(2) (2)(16)环模式的中心对称二聚体。弱C-H⋯π相互作用可能进一步稳定该结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0799/2968651/0b1ae29ba700/e-65-0o595-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0799/2968651/e10be4a6feef/e-65-0o595-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0799/2968651/0b1ae29ba700/e-65-0o595-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0799/2968651/e10be4a6feef/e-65-0o595-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0799/2968651/0b1ae29ba700/e-65-0o595-fig2.jpg

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