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1,5-双(2-氧代吲哚啉-3-亚基)硫代碳酰肼四氢呋喃单溶剂合物

1,5-Bis(2-oxoindolin-3-yl-idene)thio-carbonohydrazide tetra-hydro-furan monosolvate.

作者信息

Pezeshkpour Shaghayegh, Khaledi Hamid, Mohd Ali Hapipah

机构信息

Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1870. doi: 10.1107/S1600536812022714. Epub 2012 May 23.

DOI:10.1107/S1600536812022714
PMID:22719632
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3379434/
Abstract

In the thio-carbonohydrazide mol-ecule of the title compound, C(17)H(12)N(6)O(2)S·C(4)H(8)O, the terminal indolin-2-one ring systems make a dihedral angle of 20.13 (6)° with each other. Two intra-molecular N-H⋯O hydrogen bonds are present, each of which generates an S(6) ring. In the crystal, N-H⋯O hydrogen bonds lead to a mol-ecular chain running along the b axis. The tetra-hydro-furan solvent mol-ecule is disordered over two orientations in a 0.561 (11):0.439 (11) ratio.

摘要

在标题化合物C(17)H(12)N(6)O(2)S·C(4)H(8)O的硫代碳酰肼分子中,末端吲哚啉-2-酮环系统彼此间形成的二面角为20.13 (6)°。存在两个分子内N-H⋯O氢键,每个氢键都形成一个S(6)环。在晶体中,N-H⋯O氢键导致形成一条沿b轴延伸的分子链。四氢呋喃溶剂分子在两种取向间无序排列,比例为0.561 (11):0.439 (11)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dbf/3379434/2157470455eb/e-68-o1870-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dbf/3379434/356555a7a28c/e-68-o1870-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dbf/3379434/2157470455eb/e-68-o1870-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dbf/3379434/356555a7a28c/e-68-o1870-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dbf/3379434/2157470455eb/e-68-o1870-fig2.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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