Suppr超能文献

1,3 - 二甲氧基 - 2,3 - 二氢 - 1H - 异吲哚 - 2 - 碳硫酰胺

1,3-Dimeth-oxy-2,3-dihydro-1H-isoindole-2-carbothio-amide.

作者信息

Maliha Bushra, Tariq Muhammad Ilyas, Tahir M Nawaz, Hussain Ishtiaq, Ali Muhammad

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 6;65(Pt 1):o41. doi: 10.1107/S1600536808040075.

Abstract

In the mol-ecule of the title compound, C(11)H(14)N(2)O(2)S, the five-membered ring adopts an envelope conformation and an intramolecular N-H⋯O hydrogen bond occurs. Intra-molecular N-H⋯O, C-H⋯S and C-H⋯N hydrogen bonds result in the formation of two five- and one six-membered rings, having twisted conformations. In the crystal structure, inter-molecular N-H⋯O, N-H⋯S and C-H⋯S hydrogen bonds link the mol-ecules, forming polymeric sheets. The π-π contacts between the isoindole ring systems, [centroid-centroid distances = 3.5883 (8) and 4.0619 (8) Å] may further stabilize the structure. A C-H⋯π inter-actions also occur.

摘要

在标题化合物C(11)H(14)N(2)O(2)S的分子中,五元环呈信封构象,且存在分子内N-H⋯O氢键。分子内N-H⋯O、C-H⋯S和C-H⋯N氢键导致形成两个呈扭曲构象的五元环和一个六元环。在晶体结构中,分子间N-H⋯O、N-H⋯S和C-H⋯S氢键连接分子,形成聚合物片层。异吲哚环系统之间的π-π接触[质心-质心距离 = 3.5883 (8) 和4.0619 (8) Å]可能进一步稳定该结构。还存在C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/db61/2967958/a2ba1dbd7f0e/e-65-00o41-fig1.jpg

相似文献

1
1,3-Dimeth-oxy-2,3-dihydro-1H-isoindole-2-carbothio-amide.1,3 - 二甲氧基 - 2,3 - 二氢 - 1H - 异吲哚 - 2 - 碳硫酰胺
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 6;65(Pt 1):o41. doi: 10.1107/S1600536808040075.
2
3-Hydr-oxy-4-methoxy-benzaldehyde thio-semicarbazone hemihydrate.3-羟基-4-甲氧基苯甲醛硫代半卡巴腙半水合物
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 8;64(Pt 12):o2274-5. doi: 10.1107/S1600536808035617.
4
5-(4-Meth-oxy-phen-yl)-3-(pyridin-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothio-amide.5-(4-甲氧基苯基)-3-(吡啶-2-基)-4,5-二氢-1H-吡唑-1-碳硫酰胺
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3501-2. doi: 10.1107/S1600536811050033. Epub 2011 Nov 30.
9
5-(4-Eth-oxy-phen-yl)-3-(pyridin-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothio-amide.5-(4-乙氧基-苯基)-3-(吡啶-2-基)-4,5-二氢-1H-吡唑-1-碳硫酰胺
Acta Crystallogr Sect E Struct Rep Online. 2012 Mar 1;68(Pt 3):o830-1. doi: 10.1107/S1600536812006642. Epub 2012 Feb 24.
10
3-Methyl-5-oxo-4-(2-phenyl-hydrazinyl-idene)-4,5-dihydro-1H-pyrazole-1-carbothio-amide.3-甲基-5-氧代-4-(2-苯基肼叉基)-4,5-二氢-1H-吡唑-1-碳硫酰胺
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o928. doi: 10.1107/S1600536811009779. Epub 2011 Mar 19.

引用本文的文献

1
N-(2,4-Dinitro-phen-yl)-1,3-dimeth-oxy-isoindolin-2-amine.N-(2,4-二硝基苯基)-1,3-二甲氧基异吲哚啉-2-胺
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o1970. doi: 10.1107/S1600536811026316. Epub 2011 Jul 9.
2
3-[(Methyl-carbamo-yl)amino]-1H-isoindolium chloride.3-[(甲基氨基甲酰基)氨基]-1H-异吲哚氯化物
Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 4;65(Pt 3):o448. doi: 10.1107/S1600536809003699.
3
(1R,3S)-1,1'-(1,3-Dihydro-2-benzofuran-1,3-diyl)bis(1,3-dimethyl-urea).(1R,3S)-1,1'-(1,3-二氢-2-苯并呋喃-1,3-二基)双(1,3-二甲基脲)
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 6;65(Pt 1):o42-3. doi: 10.1107/S1600536808040828.

本文引用的文献

1
N-Methyl-1-oxoisoindoline-2-carboxamide monohydrate.N-甲基-1-氧代异吲哚啉-2-甲酰胺一水合物
Acta Crystallogr Sect E Struct Rep Online. 2008 Apr 2;64(Pt 5):o786. doi: 10.1107/S1600536808008362.
2
1-Oxoisoindoline-2-carboxamide.1-氧代异吲哚啉-2-甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2008 Feb 27;64(Pt 3):o626. doi: 10.1107/S1600536808004923.
3
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.

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验