Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-di­hydro-4H-11-thia-1,4a-di­aza­benzo[b]fluorene-3-carb­oxy­late

Yartsev Y.; Lyubashov P.; Povstyanoy V.; Povstyaniy M.; Lebedyeva I.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4H-11-thia-1,4a-diazabenzo[b]fluorene-3-carboxylate

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Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4H-11-thia-1,4a-diazabenzo[b]fluorene-3-carboxylate

机译：2-甲基-5,10-二氧代-4-苯基-5,10-二氢-4H-11-乙基-1,4a-重氮苯并[b]芴-3-羧酸酯的晶体结构

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摘要

The title compound, C24H18N2O4S, crystallizes in the orthorhombic P212121 space group, indicating the existence of only one enantiomer with an S configuration of the chiral center in the crystal phase. The dihydropyrimidine ring adopts a twist-boat conformation while the quinone ring is slightly non-planar. In the crystal, molecules are linked by weak C—H⋯O and C—H⋯S hydrogen bonds and C—H⋯π interactions. In addition, a short intermolecular S⋯N contact of 3.250 (3) Å indicates an interaction between the S atom and the π-system of the thiazole ring.

机译：标题化合物C24H18N2O4S在正交P212121空间群中结晶，表明仅存在一种在晶体相中具有手性中心呈S构型的对映体。二氢嘧啶环采用扭转舟构象，而醌环则略为非平面。在晶体中，分子通过弱的C⋯H和C⋯S的氢键和CH⋯π相互作用连接。此外，分子间的S⋯N短接触为3.250（3）Å，表明S原子与噻唑环的π系统相互作用。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2018年第2期|共3页
作者
Yartsev Y.; Lyubashov P.; Povstyanoy V.; Povstyaniy M.; Lebedyeva I.;
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中图分类晶体学;
关键词
CRYSTAL STRUCTUREDIHYDROPYRIMIDINEENANTIOMERDIHYDROPYRIMIDINEDHPM;

机译：晶体结构二氢嘧啶-对映体二氢嘧啶-DHPM;

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机译：乙基2-甲基-5,10-二氧基-4-苯基-5,10-二氢-4H-11-THIA-1,4a-diazabenzo B芴-3-羧酸晶结构的晶体结构

Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-di­hydro-4H-11-thia-1,4a-di­aza­benzo[b]fluorene-3-carb­oxy­late

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Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4H-11-thia-1,4a-diazabenzo[b]fluorene-3-carboxylate