(1S,2R,6R,7R,8S,12S)-4,10,17-三苯基-15-硫-4,10-重氮-五环[5.5.5.0(1,16).0(2,6).0(8,12)]七-十二-13,16-二烯-3,5,9,11-四酮对二甲苯半聚酸盐的晶体结构。

IF 0.9

Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-21 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814025094

Wayland E Noland, Neil J Kroll, Matthew P Huisenga, Ruixian A Yue, Simon B Lang, Nathan D Klein, Kenneth J Tritch

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引用次数: 1

摘要

2-(α-苯基)噻吩与n -苯基雄性亚胺(2个当量)在甲苯中Diels-Alder反应的主要产物是标题四酮化合物C32H22N2O4S·0.5 5c8h10(产率50%)。对二甲苯再结晶得到的粉末称为半半酸盐;对二甲苯分子位于反转中心附近。在晶体中，主要的四酮接触发生在羰基O原子和双环-[2.2.2]辛烯核心的四个旗杆H原子之间，沿[001]形成链。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Crystal structure of (1S,2R,6R,7R,8S,12S)-4,10,17-triphenyl-15-thia-4,10-diaza-penta-cyclo[5.5.5.0(1,16).0(2,6).0(8,12)]hepta-deca-13,16-diene-3,5,9,11-tetrone p-xylene hemisolvate.

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Crystal structure of (1S,2R,6R,7R,8S,12S)-4,10,17-triphenyl-15-thia-4,10-diaza-penta-cyclo[5.5.5.0(1,16).0(2,6).0(8,12)]hepta-deca-13,16-diene-3,5,9,11-tetrone p-xylene hemisolvate.

The title tetrone compound, C32H22N2O4S· 0.5C8H10, is the major product (50% yield) of an attempted Diels-Alder reaction of 2-(α-styr-yl)thio-phene with N-phenyl-male-imide (2 equivalents) in toluene. Recrystallization of the resulting powder from p-xylene gave the title hemisolvate; the p-xylene mol-ecule is located about an inversion center. In the crystal, the primary tetrone contacts are between a carbonyl O atom and the four flagpole H atoms of the bi-cyclo-[2.2.2]octene core, forming chains along [001].

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来源期刊

Acta crystallographica. Section E, Structure reports online 化学-晶体学

自引率

33.30%

发文量

审稿时长

1.3 months

期刊介绍： Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.