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4-(2-氟苯基)-1-(2-氧代吲哚啉-3-亚基)硫代氨基脲

4-(2-Fluoro-phen-yl)-1-(2-oxoindolin-3-yl-idene)thio-semicarbazide.

作者信息

Pervez Humayun, Yaqub Muhammad, Ramzan Muhammad, Iqbal Mohammad S, Tahir M Nawaz

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 2;66(Pt 5):o1018. doi: 10.1107/S1600536810011682.

DOI:10.1107/S1600536810011682
PMID:21579082
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2979150/
Abstract

The title compound, C(15)H(11)FN(4)OS, is almost planar, the dihedral angle between the aromatic ring systems being 5.00 (13)°. The conformation is stabilized by intra-molecular N-H⋯N and N-H⋯O hydrogen bonds, which generate S(5) and S(6) rings, respectively. N-H⋯F and C-H⋯S inter-actions also occur. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds occur, generating R(2) (2)(8) loops.

摘要

标题化合物C(15)H(11)FN(4)OS几乎呈平面状,芳环系统之间的二面角为5.00 (13)°。其构象通过分子内N-H⋯N和N-H⋯O氢键得以稳定,分别形成S(5)和S(6)环。还存在N-H⋯F和C-H⋯S相互作用。在晶体中,通过成对的N-H⋯O氢键形成的反演二聚体出现,产生R(2) (2)(8)环。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0b97/2979150/c3c11cddcd09/e-66-o1018-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0b97/2979150/2961b1d26cfc/e-66-o1018-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0b97/2979150/c3c11cddcd09/e-66-o1018-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0b97/2979150/2961b1d26cfc/e-66-o1018-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0b97/2979150/c3c11cddcd09/e-66-o1018-fig2.jpg

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